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Eapearl Chemical

Succinic Acid

Amber acid

CAS 110-15-6 EC 203-740-4 C4H6O4 Other SDS published CLP Danger

⚠️ Note: This safety data sheet is provided in English; a localized version is being prepared.

MolGod_SDSCARD_1
REACH 2020/878
v2 · 08.09.2026

Specification

Product NameSuccinic Acid
Other NamesAmber acid
CAS No.110-15-6
EINECS No.203-740-4
MFC4H6O4
Molecular weight118.09
Purity99.50%
AppearanceA white, odorless solid with a sour taste
Density1.19 g/mL at 25 °C
Melting point185°C
Boiling point235°C
Flashing point230°F

Values are typical for the standard grade. Tighter specifications are available — state the target in your inquiry and we confirm against the production batch.

Hazard classification

GHS pictogram GHS05 — Corrosive GHS pictogram GHS07 — Irritant / harmful

Danger

Classification source — PubChem C&L (consensus filter, not harmonised)

No harmonised entry exists for this substance; the classification shown is the supplier consensus reported to ECHA and should be confirmed for your intended use.

  • H318 Causes serious eye damage
Precautionary statements (1)
  • P264 Wash thoroughly after handling

Substance identity verified against the registry entry on 2026-09-02.

Packaging and shipping

Drum25 kg
IBC Drum1000 kg
ISO tank (20ft)24–26 m³
ISO tank (40ft)48–50 m³
Succinic Acid
Succinic Acid
Succinic Acid
Succinic Acid

Succinic Acid (CAS 110-15-6) is a high-purity organic acid with excellent stability, good biodegradability, and strong reactivity. It appears as a white crystalline substance at room temperature with good solubility in water and alcohol. With molecular formula C₄H₆O₄ and molecular weight 118.09, it shows good compatibility with various chemical systems. Our Succinic Acid is mainly supplied as industrial or food grade with strict quality control, low moisture and impurity content, and stable performance. It is widely used in chemical synthesis, biodegradable materials, and food additives. As a key raw material in green chemistry and sustainable industries, it ensures high efficiency and stable performance in various applications.

Succinic Acid Multi-functional Solution | Covers chemical synthesis, biodegradable materials and food additives | Stable supply & reliable qualitySuccinic Acid Multi-functional Solution | Covers chemical synthesis, biodegradable materials and food additives | Stable supply & reliable qualitySuccinic Acid Multi-functional Solution | Covers chemical synthesis, biodegradable materials and food additives | Stable supply & reliable quality

Succinic Acid Multi-functional Solution | Covers chemical synthesis, biodegradable materials and food additives | Stable supply & reliable quality

Product Description

Succinic Acid (CAS 110-15-6) is an important high-purity organic acid widely used in the chemical, food, and biodegradable materials industry.

It has good chemical stability, excellent biodegradability, and strong reactivity, making it an essential intermediate in various chemical processes.

It appears as a white crystalline solid at room temperature and is easily soluble in water and alcohol. Our Succinic Acid is produced as industrial or food grade with purity over 99.50%, strict control of moisture, heavy metals, and other impurities, ensuring stable and consistent quality for industrial use.

Succinic Acid is mainly used in chemical synthesis, usually as a key intermediate for the production of resins, coatings, plasticizers, and biodegradable polymers to improve material performance and processing efficiency.

It is also applied in food additives, pharmaceuticals, and agriculture as a mild and efficient acidulant or functional ingredient. In usage, Succinic Acid is dissolved and blended evenly with other materials under controlled conditions to ensure uniformity and stability.

It is widely applied in biodegradable materials, food processing, and fine chemicals industries. With high efficiency and stable performance, Succinic Acid has become an indispensable basic material in modern green chemistry and sustainable industries.

Succinic Acid Multi-functional Solution | Covers chemical synthesis, biodegradable materials and food additives | Stable supply & reliable quality

Delivery&Payment method

Succinic Acid Multi-functional Solution | Covers chemical synthesis, biodegradable materials and food additives | Stable supply & reliable quality

Frequently asked

In what packaging is Succinic Acid shipped?

Standard formats are Drum (25 kg), IBC Drum (1000 kg), ISO tank (20ft) (24–26 m³), ISO tank (40ft) (48–50 m³). Other packaging can be arranged for full-container orders.

Is a safety data sheet available for Succinic Acid?

Yes. A full safety data sheet for CAS 110-15-6 is published and linked from this page; a signed copy is issued with the shipping documents.

What purity do you supply?

The standard grade is 99.50%. Tighter specifications are confirmed against the production batch before shipment.

Technical reading on Succinic Acid

Related products

🧬 3D分子可视化器
正在加载分子...
3D模型Succinic Acid,CAS 110-15-6,分子式C4H6O4, 摩尔质量 118.09 g/mol

数据转录自法规登记册和专业文献,并注明来源与版本。不能替代供应商的安全数据表。未记录来源的字段已作相应标注。

📊 物理化学数据 — CAS 110-15-6MolGod_PROPHUB_MAIN
📊 物理化学性质

快速参考

化学式: C4H6O4
分子量: 118.09 g/mol
CAS号: 110-15-6
🔬 高级属性

化学标识符

SMILES: C(CC(=O)O)C(=O)O

最后更新: 2026-09-21

化学概述: Succinic AcidMolGod_OVERVIEW_1
分子式C4H6O4[1]
分子量118.09 g/mol[1]
熔点186.5 °C[1][2]
LogP(亲脂性)-0.6[1]
IUPAC名称butanedioic acid[1]
SMILESC(CC(=O)O)C(=O)O[1]
InChIKeyKDYFGRWQOYBRFD-UHFFFAOYSA-N[1]

同义词: succinic acid · butanedioic acid · 110-15-6 · Amber acid · Asuccin

数据来源: PubChem (NLM/NIH)
最后更新: 2026-09-21

📚 科学参考文献(芝加哥作者-日期格式) (2 来源)
  1. PubChem. National Center for Biotechnology Information (NIH/NLM), chemical compound database. applies to: 分子式 · 分子量 · 熔点 · LogP(亲脂性) · IUPAC名称 · SMILES · InChIKey
  2. NIST. Chemistry WebBook, SRD 69. National Institute of Standards and Technology. applies to: 熔点

科学研究

[1]PubMed2026
Xie L, Chen H, Zhang L et al.. (2026). "Suppressing MASH fibrotic progression by blocking succinate-GPR91 signaling in HSCs.". Hepatology (Baltimore, Md.). https://doi.org/10.1097/HEP.0000000000001405
[2]CrossRef2026
(2026). "Cartoon / Vorschau". Leidfaden. https://doi.org/10.13109/leid.2026.15.3.110
[3]PubMed2025
Pålsson-McDermott EM, O'Neill LAJ. (2025). "Gang of 3: How the Krebs cycle-linked metabolites itaconate, succinate, and fumarate regulate macrophages and inflammation.". Cell metabolism. https://doi.o
[4]PubMed2025
Liang L, Kuang X, He Y et al.. (2025). "Alterations in PD-L1 succinylation shape anti-tumor immune responses in melanoma.". Nature genetics. https://doi.org/10.1038/s41588-025-02077-6
[5]PubMed2025
Wang H, Hu D, Cheng Y et al.. (2025). "Succinate drives gut inflammation by promoting FOXP3 degradation through a molecular switch.". Nature immunology. https://doi.org/10.1038/s41590-025-02166-y
[6]PubMed2025
Wang C, Yu X, Yu X et al.. (2025). "Gut flora-derived succinate exacerbates Allergic Airway Inflammation by promoting protein succinylation.". Redox biology. https://doi.org/10.1016/j.redox.2025.10362
[7]PubMed2025
Ma K, Cheng H, Wang L et al.. (2025). "Succinate preserves CD8(+) T cell fitness to augment antitumor immunity.". Immunity. https://doi.org/10.1016/j.immuni.2025.07.017
[8]PubMed2025
Lu S, Li J, Li Y et al.. (2025). "Succinate-loaded tumor cell-derived microparticles reprogram tumor-associated macrophage metabolism.". Science translational medicine. https://doi.org/10.1126/scitran
📚 科学参考文献(芝加哥作者-日期格式) 19 refs · 3 baz

MOLECULE 按CAS号参考文献(实时来自13+数据库)

来源: db:pubmed (15) · db:crossref (2) · db:arxiv (3)

  1. db:pubmed Xie L, Chen H, Zhang L et al.. (2026). "Suppressing MASH fibrotic progression by blocking succinate-GPR91 signaling in HSCs.". Hepatology (Baltimore, Md.). https://doi.org/10.1097/HEP.0000000000001405
  2. db:crossref (2026). "Cartoon / Vorschau". Leidfaden. https://doi.org/10.13109/leid.2026.15.3.110
  3. db:pubmed Pålsson-McDermott EM, O'Neill LAJ. (2025). "Gang of 3: How the Krebs cycle-linked metabolites itaconate, succinate, and fumarate regulate macrophages and inflammation.". Cell metabolism. https://doi.org/10.1016/j.cmet.2025.03.004
  4. db:pubmed Liang L, Kuang X, He Y et al.. (2025). "Alterations in PD-L1 succinylation shape anti-tumor immune responses in melanoma.". Nature genetics. https://doi.org/10.1038/s41588-025-02077-6
  5. db:pubmed Wang H, Hu D, Cheng Y et al.. (2025). "Succinate drives gut inflammation by promoting FOXP3 degradation through a molecular switch.". Nature immunology. https://doi.org/10.1038/s41590-025-02166-y
  6. db:pubmed Wang C, Yu X, Yu X et al.. (2025). "Gut flora-derived succinate exacerbates Allergic Airway Inflammation by promoting protein succinylation.". Redox biology. https://doi.org/10.1016/j.redox.2025.103623
  7. db:pubmed Ma K, Cheng H, Wang L et al.. (2025). "Succinate preserves CD8(+) T cell fitness to augment antitumor immunity.". Immunity. https://doi.org/10.1016/j.immuni.2025.07.017
  8. db:pubmed Lu S, Li J, Li Y et al.. (2025). "Succinate-loaded tumor cell-derived microparticles reprogram tumor-associated macrophage metabolism.". Science translational medicine. https://doi.org/10.1126/scitranslmed.adr4458
  9. db:pubmed Nengroo MA, Klein AT, Carr HS et al.. (2025). "Accumulation of succinate suppresses de novo purine synthesis through succinylation-mediated control of the mitochondrial folate cycle.". Molecular cell. https://doi.org/10.1016/j.molcel.2025.10.002
  10. db:pubmed Huang H, Li G, He Y et al.. (2024). "Cellular succinate metabolism and signaling in inflammation: implications for therapeutic intervention.". Frontiers in immunology. https://doi.org/10.3389/fimmu.2024.1404441
  11. db:pubmed Zhao X, Yang X, Du C et al.. (2024). "Up-regulated succinylation modifications induce a senescence phenotype in microglia by altering mitochondrial energy metabolism.". Journal of neuroinflammation. https://doi.org/10.1186/s12974-024-03284-4
  12. db:pubmed Rawal S, Randhawa V, Rizvi SHM et al.. (2024). "miR-369-3p ameliorates diabetes-associated atherosclerosis by regulating macrophage succinate-GPR91 signalling.". Cardiovascular research. https://doi.org/10.1093/cvr/cvae102
  13. db:pubmed Han G, Cui M, Lu P et al.. (2024). "Selective translation of nuclear mitochondrial respiratory proteins reprograms succinate metabolism in AML development and chemoresistance.". Cell stem cell. https://doi.org/10.1016/j.stem.2024.09.008
  14. db:arxiv Glenn Wagner, Chunyu Guo, Philip J. W. Moll et al.. (2023). "Phenomenology of bond and flux orders in kagome metals". arXiv (2307.02528v2). https://doi.org/10.1103/physrevb.108.125136
  15. db:pubmed Ben-Arosh H, Avraham R. (2023). "Tissue-specific macrophage immunometabolism.". Current opinion in immunology. https://doi.org/10.1016/j.coi.2023.102369
  16. db:pubmed Shen T, Lin R, Hu C et al.. (2023). "Succinate-induced macrophage polarization and RBP4 secretion promote vascular sprouting in ocular neovascularization.". Journal of neuroinflammation. https://doi.org/10.1186/s12974-023-02998-1
  17. db:arxiv Qinqin Wang, Jian Tang, Xiaomei Li et al.. (2022). "Layer-by-Layer Epitaxy of Multilayer MoS2 Wafers". arXiv (2203.09720v1). https://doi.org/10.1093/nsr/nwac077
  18. db:arxiv M. Bozkurt, M. R. Mahani, P. Studer et al.. (2013). "Magnetic Anisotropy of Single Mn Acceptors in GaAs in an External Magnetic Field". arXiv (1304.3303v2). https://doi.org/10.1103/physrevb.88.205203
  19. db:crossref (2011). "Clúdach: Cover". New Hibernia Review. https://doi.org/10.1353/nhr.2011.0038
物质监管状态
该物质受监管要求约束: 危险废物管理(BDO登记册). 详细信息请参见“法规状态(REACH/ECHA/CLP)”章节及安全数据表。 监管信息——不限制在本店购买。
🧮 化学计量计算器MolGod_STOICH_1
🧪 化学数据MolGod_CHEMDATA_1
CAS号
110-15-6
分子式
C4H6O4
摩尔质量
118.09 g/mol
IUPAC名称 (EN)
butanedioic acid
SMILES
C(CC(=O)O)C(=O)O
InChIKey
KDYFGRWQOYBRFD-UHFFFAOYSA-N
📚 Literatura naukowa (4 产品)MolGod_LITSCI_1
筛选:
排序:
📈 出版时间线
2020
2024
2025
📡 Data sourcesMolGod_SOURCES_1

The data in this widget comes from the following verified scientific sources:

  • PubChem — National Center for Biotechnology Information (NCBI/NIH), USA
  • ChEMBL — European Bioinformatics Institute (EMBL-EBI), UK
  • NIST WebBook — National Institute of Standards and Technology, USA

Data is cached locally for speed — the widget also works offline.

⚗️ Physicochemical propertiesMolGod_PHYSTAB_2
Temp. topnienia
185.9
Density
1.572

Source: PubChem, NIST WebBook. Last updated: 2026-09-21

🔍 外部标识符MolGod_EXTID_1
15 / 16个ID系统94%
数据库标识符操作
CAS Registry Number110-15-6打开 →
PubChem CID1110[1]打开 →
InChIKeyKDYFGRWQOYBRFD-UHFFFAOYSA-N[1]打开 →
InChIInChI=1S/C4H6O4/c5-3(6)1-2-4(7)8/h1-2H2,(H,5,6)(…[1]
SMILESC(CC(=O)O)C(=O)O[1]
EC Number203-740-4[2]打开 →
ChEMBLCHEMBL576[3]打开 →
DrugBankDB00139打开 →
KEGG CompoundC00042打开 →
HMDBHMDB0000254打开 →
ChemSpider1078[4]打开 →
MeSH UID (NLM)D019802打开 →
UNII (FDA)AB6MNQ6J6L打开 →
NSC Number (NCI)25949打开 →
WikiData QIDQ213050打开 →

来源:PubChem (NIH)、Wikidata SPARQL、KEGG、ChEMBL (EBI)、CompTox CTX (EPA)。

📚 科学参考文献(芝加哥作者-日期格式) (4 来源)
  1. PubChem. National Center for Biotechnology Information (NIH/NLM), chemical compound database. applies to: PubChem CID · InChIKey · InChI · SMILES
  2. ECHA. EC Inventory — EINECS, ELINCS, NLP and List Numbers assigned under REACH. Helsinki: European Chemicals Agency. applies to: EC Number
  3. ChEMBL. European Bioinformatics Institute (EMBL-EBI), bioactivity database. applies to: ChEMBL
  4. ChemSpider. Royal Society of Chemistry, chemical structure database. applies to: ChemSpider

Further reading

Publications thematically related to this CAS. They are not the source of any value shown on this card.

扩展参考文献 (6)

  1. ★★★★☆ CANONICAL_PAPERS 💰 付费墙(可能) ❓ 未验证 Jung Y; Song JS; Ahn S. 2022. "Pharmacokinetics and Tissue Distribution of (13)C-Labeled Succinic Acid in Mice." Nutrients. 链接 [访问日期: 2026-09-23]
  2. ★★☆☆☆ CROSSREF 🔓 开放 ❓ 未验证 Anonymous. "Succinic Acid.". https://doi.org/10.31003/uspnf_r2516_01_01. 链接 [访问日期: 2026-09-23] CC0 (metadata)
  3. ★★☆☆☆ CROSSREF 🔓 开放 ❓ 未验证 Anonymous. "Succinic Acid.". https://doi.org/10.31003/uspnf_m727_04_01. 链接 [访问日期: 2026-09-23] CC0 (metadata)
  4. ★★☆☆☆ CROSSREF 🔓 开放 ❓ 未验证 Anonymous. "Succinic Acid.". https://doi.org/10.31003/fcc_f100606_03_01. 链接 [访问日期: 2026-09-23] CC0 (metadata)
  5. ★★☆☆☆ CROSSREF 🔓 开放 ❓ 未验证 Anonymous. "Succinic Acid.". https://doi.org/10.31003/uspnf_m727_05_01. 链接 [访问日期: 2026-09-23] CC0 (metadata)
  6. ★★☆☆☆ CROSSREF 🔓 开放 ❓ 未验证 Anonymous. "Adsorption of Pyruvic and Succinic Acid by Amine-Functionalized SBA-15 for the Purification of Succinic Acid from Fermentation Broth.". https://doi.org/10.1021/jp072606g.s001. 链接 [访问日期: 2026-09-23] CC0 (metadata)
📡 光谱学 — CAS 110-15-6MolGod_SPECHUB_MAIN
📊 光谱数据库 — 内联数据 9 来源 MolGod_SPECDB_2

光谱按需从9个来源获取。每个光谱都存储在我们的数据库中 — 下次打开时无需向外部API发出请求。无需搜索即可为每个光谱下载JCAMP-DX / CSV / PNG。

IR IR (Infrared) — NIST WebBook
Public domain (US Federal)
▶ 点击加载光谱
🔗 来源
📚 NIST Chemistry WebBook, SRD 69
MS (NIST) Mass Spectrum (EI) — NIST WebBook
Public domain (US Federal)
▶ 点击加载光谱
🔗 来源
📚 NIST Standard Reference Database 1A
UV-Vis UV/Visible Absorption — NIST WebBook
Public domain (US Federal)
▶ 点击加载光谱
🔗 来源
📚 NIST Chemistry WebBook, SRD 69
¹H NMR NMR (¹H, ¹³C) — NMRShiftDB
CC-BY-SA 4.0
▶ 点击加载光谱
🔗 来源
📚 Steinbeck C et al. (2003) J. Chem. Inf. Comput. Sci. 43(1):10–16 DOI: 10.1021/ci025588g
MS (MoNA) MoNA — MassBank of North America
CC-BY 4.0
▶ 点击加载光谱
🔗 来源
📚 MassBank of North America (UC Davis) DOI: 10.1002/jms.1777
IR/NMR/MS (SDBS) SDBS — Spectral Database for Organic Compounds (Japan AIST)
Free for non-commercial

参考来源 — 无公共API。在外部数据库中打开:

🔗 IR/NMR/MS (SDBS) →
📚 SDBSWeb: https://sdbs.db.aist.go.jp (AIST, Japan)
JP Monograph Japanese Pharmacopoeia — Monographs
Reference only

参考来源 — 无公共API。在外部数据库中打开:

🔗 JP Monograph →
📚 Japanese Pharmacopoeia 18th Edition (2021)
WHO INN WHO — International Nonproprietary Names
WHO Model Lists (free)

参考来源 — 无公共API。在外部数据库中打开:

🔗 WHO INN →
📚 WHO INN Programme
DOAJ DOAJ — Directory of Open Access Journals
OA journal index (mixed)

参考来源 — 无公共API。在外部数据库中打开:

🔗 DOAJ →
📚 DOAJ — doaj.org
🔬 交互式光谱(实时 — NIST / MoNA / NMRShiftDB / SDBS) (2)

数据从多个来源实时获取(优先级链)。每个光谱下可下载JCAMP-DX / CSV / PNG。 ⓘ 单一来源 ★★☆☆☆ ⓘ 单一来源 ★★☆☆☆

IR — 傅里叶变换红外光谱

正在加载 IR — 傅里叶变换红外光谱…

MS — 质谱(EI 70eV)

正在加载 MS — 质谱(EI 70eV)…

结构性质MolGod_STRUCT3D_1

正在加载结构数据...

❓ 常见问题 (3)MolGod_FAQ_1
What is 110-15-6?
110-15-6 (CAS 110-15-6) is a chemical compound. The chemical data comes from PubChem (National Institutes of Health, USA).
有帮助吗?
What is the CAS number of 110-15-6?
The CAS number for 110-15-6 is 110-15-6. A CAS Registry Number is the standard identifier for a chemical substance in scientific literature and in trade.
有帮助吗?
How should 110-15-6 be stored?
110-15-6 should be stored as its safety data sheet directs \— typically in a dry, cool, well-ventilated place, away from heat and from materials it is incompatible with.
有帮助吗?
➕ 建议问题
下载结构文件MolGod_STRDL_1

来自PubChem数据库(NIH)的分子结构文件。兼容Avogadro、PyMOL、Jmol和ChemDraw等程序。

来源:PubChem,美国国家医学图书馆(NIH)。 CID: 1110

🔄 浓度单位转换器 实时 MolGod_UNITCONV_1

输入Succinic Acid浓度(任意单位),其余将自动计算。

分子量: 118.09 g/mol · IUPAC Gold Book ↗

⚗️ 转换公式及引用(每个公式)
转换分子式准确度来源
% (w/v) ↔ molarityc (mol/L) = (% × 10) / MW±0.5% rel. when density ≈ 1.0 g/mLIUPAC (2019)
millimolar ↔ molarc (mol/L) = mM × 10⁻³ExactCohen ER, Cvitaš T, Frey JG, Holmström B, Kuchitsu K, Marquardt R, Mills I, Pavese F, Quack M, Stohner J, Strauss HL, Takami M, Thor AJ (2007)
molarity (mol/L)c = n/V = (m/MW)/V±0.1% (depends on MW precision)IUPAC (2019)
parts per million (mg/L) ↔ molarityc (mol/L) = ppm / (1000 × MW); equivalently ppm = mg/L for dilute aqueous±1% (density-independent for dilute solutions)IUPAC (2019)
mg/mL ↔ molarityc (mol/L) = (mg/mL × 1000) / MW / 1000 = mg/mL / MW × 1±0.2%Cohen ER, Cvitaš T, Frey JG, Holmström B, Kuchitsu K, Marquardt R, Mills I, Pavese F, Quack M, Stohner J, Strauss HL, Takami M, Thor AJ (2007)
g/L ↔ molarityc (mol/L) = (g/L) / MW±0.1% (depends on MW precision)Cohen ER, Cvitaš T, Frey JG, Holmström B, Kuchitsu K, Marquardt R, Mills I, Pavese F, Quack M, Stohner J, Strauss HL, Takami M, Thor AJ (2007)
mmol/L ↔ molarityc (mol/L) = mmol/L × 10⁻³ExactCohen ER, Cvitaš T, Frey JG, Holmström B, Kuchitsu K, Marquardt R, Mills I, Pavese F, Quack M, Stohner J, Strauss HL, Takami M, Thor AJ (2007)
Celsius ↔ KelvinT(K) = t(°C) + 273.15±0.01 K (ITS-90 scale)BIPM (Bureau International des Poids et Mesures) (2019)
Celsius ↔ FahrenheitT(°F) = T(°C) × 9/5 + 32±0.1 °FThompson A, Taylor BN (2008)
density-corrected % ↔ molarityc (mol/L) = (%w/w × ρ × 10) / MW, ρ in g/mL±0.1% when ρ known to 3 decimalsCohen ER, Cvitaš T, Frey JG, Holmström B, Kuchitsu K, Marquardt R, Mills I, Pavese F, Quack M, Stohner J, Strauss HL, Takami M, Thor AJ (2007)
📚 参考文献(8个权威来源)
  1. Thompson A, Taylor BN (2008). Guide for the Use of the International System of Units (SI). NIST Special Publication 811 · DOI: 10.6028/NIST.SP.811-2008
    → Primary SI standard for US scientific usage
  2. Cohen ER, Cvitaš T, Frey JG, Holmström B, Kuchitsu K, Marquardt R, Mills I, Pavese F, Quack M, Stohner J, Strauss HL, Takami M, Thor AJ (2007). Quantities, Units and Symbols in Physical Chemistry — The IUPAC Green Book. RSC Publishing, 3rd ed. · DOI: 10.1039/9781847557889 · ISBN: 978-0-85404-433-7
    → Canonical IUPAC guide for chemistry quantities/units
  3. BIPM (Bureau International des Poids et Mesures) (2019). The International System of Units (SI), 9th edition. BIPM ·
    → International SI definitions (incl. redefined kilogram 2019)
  4. ISO/IEC (2022). Quantities and units — Part 1: General. International Organization for Standardization — ISO 80000-1:2022 ·
    → General rules for physical quantities and units
  5. ISO/IEC (2019). Quantities and units — Part 9: Physical chemistry and molecular physics. International Organization for Standardization — ISO 80000-9:2019 ·
    → Concentration / molality / amount-of-substance conventions
  6. Tiesinga E, Mohr PJ, Newell DB, Taylor BN (2021). CODATA recommended values of the fundamental physical constants: 2018. Rev. Mod. Phys. 93(2):025010 · DOI: 10.1103/RevModPhys.93.025010
    → Avogadro, gas constant, molar volume (2019 SI revision)
  7. IUPAC (2019). Compendium of Chemical Terminology — the IUPAC Gold Book (online). IUPAC · DOI: 10.1351/goldbook
    → Definitions of mass fraction, molality, normality, ppm, activity
  8. Mills IM, Cvitaš T, Homann K, Kallay N, Kuchitsu K (1988). Quantities, Units and Symbols in Physical Chemistry. Blackwell Scientific Publications, 1st ed. · ISBN: 0-632-01773-5
    → Historical predecessor of IUPAC Green Book
相似分子结构MolGod_SIMSTR_1

正在加载相似结构...

🧪 溶液制备向导 WIZARD MolGod_PREP_1
① 选择浓度
② 目标体积
③ 溶剂

计算依据: IUPAC Gold Book ↗, Merck ↗

计算化学MolGod_COMPCHEM_1

正在加载计算数据...

🛡️ 安全 — CAS 110-15-6MolGod_SAFEHUB_MAIN
数据限制说明。 本页安全信息仅供参考,不能替代完整的安全数据表(SDS)。使用产品前,请查阅制造商当前的安全数据表以及GHS/CLP指南。CLP分类适用于纯散装物质,不适用于商业制剂。

GHS/CLP分类——(EC) No 1272/2008法规 + UN GHS Rev. 9 (2021)。

⚠️ 危险 (Danger)
GHS05 — 腐蚀性
GHS05 腐蚀性

🚨 危险说明(H)

  • H318 — 造成严重眼损伤

🛡 防范说明(P)

  • P264 — 作业后彻底清洗手部[和……]。

⚠ 基于来源共识的分类(PubChem/供应商通知)——未与附件VI(CLP)中的统一分类进行验证。危害范围可能比官方分类更广;使用前请与供应商当前的安全数据表进行验证。

翻译:CLP 法规 (EC) 1272/2008,附件 III 和 IV。数据:PubChem/NLM。

📚 综合科学参考文献 — Chicago Author-Date 10 来源

从所有Safety Hub选项卡收集的参考文献。CAS号: 110-15-6 · PubChem ↗

  1. Parlament Europejski i Rada UE. 2008. "Rozporządzenie (WE) nr 1272/2008 w sprawie klasyfikacji, oznakowania i pakowania substancji (CLP)." Dz.Urz. UE L 353. [↗] GHS,法规
  2. United Nations Economic Commission for Europe (UNECE). 2021. "Globally Harmonized System of Classification and Labelling of Chemicals (GHS), Ninth Revised Edition." United Nations, Geneva. [↗] GHS
  3. Goldfrank, Lewis R., Robert S. Hoffman, Mary Ann Howland, et al.. 2019. "Goldfrank's Toxicologic Emergencies, 11th ed.." McGraw-Hill Education, New York. ISBN 978-1-25-985961-8. Pierwsza pomoc, Toksykologia
  4. National Institute for Occupational Safety and Health (NIOSH). 2023. "NIOSH Pocket Guide to Chemical Hazards (DHHS Publ. 2005-149)." U.S. Department of Health and Human Services / CDC, Cincinnati, OH. [↗] Pierwsza pomoc, PPE, Toksykologia
  5. European Committee for Standardization (CEN). 2016. "EN 374-1:2016 — Protective gloves against dangerous chemicals and micro-organisms." CEN, Brussels. [↗] PPE
  6. UNECE. 2023. "European Agreement Concerning the International Carriage of Dangerous Goods by Road (ADR 2025)." United Nations, Geneva. [↗] Utylizacja, Regulacje
  7. National Fire Protection Association (NFPA). 2022. "NFPA 400 — Hazardous Materials Code." NFPA, Quincy, MA. [↗] Magazynowanie
  8. Urben, P.G. (ed.). 2017. "Bretherick's Handbook of Reactive Chemical Hazards, 8th ed.." Butterworth-Heinemann / Elsevier, Oxford. [↗] Magazynowanie
  9. Ministerstwo Klimatu i Środowiska RP. 2023. "Baza danych o produktach i opakowaniach oraz o gospodarce odpadami (BDO)." Ministerstwo Klimatu i Środowiska, Warszawa. [↗] Utylizacja
  10. International Agency for Research on Cancer (IARC / WHO). 2024. "IARC Monographs on the Identification of Carcinogenic Hazards to Humans — List of Classifications." WHO, Lyon. [↗] Toksykologia

具有自身参考文献的选项卡(紧急情况、个人防护装备、储存、废物)在其各自章节中包含额外的书目条目。

📈 分析统计(t检验·RSD·Grubbs·Q-Dixon) ICH Q2

粘贴一系列重复测量结果(CSV或每行一个数字)。计算器将计算平均值、标准差和95%置信区间,并检测异常值(Grubbs + Dixon Q)。

分隔符:逗号、空格、制表符、换行。至少3个测量值。
📐 统计公式
  • x̄ = Σxᵢ / n — 算术平均值
  • s² = Σ(xᵢ - x̄)² / (n-1) — 样本方差
  • s = √s² — 标准差
  • RSD% = (s / x̄) × 100% — 相对标准差
  • CI₉₅ = x̄ ± t(0.05, n-1) × s / √n — Student's t
  • G = |xᵢ - x̄| / s — Grubbs检验
  • Q = |xsuspect - xnearest| / |xmax - xmin| — Dixon Q-test

来源:ICH Q2(R2) 分析方法验证 · ICH PDF ↗

🧪 缓冲液配方计算器 唯一

从 20 种常用缓冲体系列表中选择 → 输入目标 pH → 获得精确配方,包括称量质量。

步骤 1:选择缓冲体系

📜 配方历史记录(最近 10 条)
药物状态

Badania kliniczne Faza 3

I期
II期
III期
已批准

III期——在广泛人群中开展的大规模多中心比较试验。

ChEMBL CHEMBL576 ↗

扩展参考文献 (5)

  1. ★★☆☆☆ CROSSREF 🔓 开放 ❓ 未验证 Anonymous. "Succinic Acid.". https://doi.org/10.31003/uspnf_r2516_01_01. 链接 [访问日期: 2026-09-23] CC0 (metadata)
  2. ★★☆☆☆ CROSSREF 🔓 开放 ❓ 未验证 Anonymous. "Succinic Acid.". https://doi.org/10.31003/uspnf_m727_04_01. 链接 [访问日期: 2026-09-23] CC0 (metadata)
  3. ★★☆☆☆ CROSSREF 🔓 开放 ❓ 未验证 Anonymous. "Succinic Acid.". https://doi.org/10.31003/fcc_f100606_03_01. 链接 [访问日期: 2026-09-23] CC0 (metadata)
  4. ★★☆☆☆ CROSSREF 🔓 开放 ❓ 未验证 Anonymous. "Succinic Acid.". https://doi.org/10.31003/uspnf_m727_05_01. 链接 [访问日期: 2026-09-23] CC0 (metadata)
  5. ★★☆☆☆ CROSSREF 🔓 开放 ❓ 未验证 Anonymous. "Adsorption of Pyruvic and Succinic Acid by Amine-Functionalized SBA-15 for the Purification of Succinic Acid from Fermentation Broth.". https://doi.org/10.1021/jp072606g.s001. 链接 [访问日期: 2026-09-23] CC0 (metadata)
📅 项目规划器——实验室实验管理器 新品

规划您的整个实验室项目:添加实验(含试剂、重复次数和持续时间)。您将获得甘特图、购物清单(含商店链接!)、预算(含10%余量)和GHS风险矩阵。

🧪 溶解性和溶剂兼容性 MolGod_SOLUB_1
分子
Succinic Acid
分子式
C4H6O4
logP (XLogP3)
-0.60
摩尔质量(g/mol)
118.09
极性
亲水性(极性)

⚠️ HSP估算(文献/基团贡献法)。指示性数据——不能替代实验研究。

Ra < R₀ = good miscibility · Ra < 1,5×R₀ = borderline · above = poor (R₀ — radius of the Hansen sphere of this molecule) For this molecule R₀ = 8..

溶剂 兼容性 Ra 可视化 GC-MS HPLC 应用 参考文献
Water (H₂O)83.2 g/L (pomiar)20.8
✗ NieA (aqueous) (RP)
buffercell cultureanalyticalextraction (hydrophilic)
Ethanol (EtOH)+ 良好7.9
✗ NieA/B modifier (RP/NP)
extractionspectroscopy (UV-Vis)synthesisHPLC modifier
Methanol (MeOH)+ 良好8.0
✗ NieA/B (RP) (RP)
HPLC (eluent)LC-MSKarl FischerUV-transparent to 205 nm
Acetone− 差17.8
✗ NieB modifier (NP)
GC headspacecrystallisationdegreasingsynthesis
Acetonitrile (ACN)− 差20.1
✗ NieB (RP) (RP)
HPLC eluent (gold standard)LC-MS (low UV cut-off, 190 nm)peptide analysis
DMSO− 差14.3
✗ NieN/A (N/A)
NMR (d6-DMSO)cell biology (cryopreservation)drug deliverysynthesis
THF− 差16.9
✗ NieB (NP) (NP)
GPC/SEC (polymer analysis)Grignard synthesisorganometallics
DCM (CH₂Cl₂)− 差18.0
✓ TakB (NP) (NP)
extractionNP-HPLCGC-MScrystallisation (anti-solvent)
Chloroform (CHCl₃)− 差19.5
✓ TakN/A (toxic) (N/A)
NMR (CDCl3)lipid extraction (Folch method)NP-TLC
Hexane− 差27.1
✓ TakA (NP) (NP)
NP-HPLCoil extraction (lipids)GC-MSTLC (NP)
Toluene− 差23.5
✓ TakB (NP) (NP)
NMR (d8-toluene)synthesisazeotropic drying (Dean-Stark)
📚 溶剂科学参考文献(芝加哥作者-日期格式)——点击展开

11 solvents · 54 full citations (NIST/CRC/IARC/Hansen/Reichardt/Smallwood/Wypych/Armarego/Snyder/GESTIS) — below.

Water (H₂O)
  1. NIST — NIST Chemistry WebBook — Water (CAS 7732-18-5)
  2. CRC — CRC Handbook of Chemistry and Physics, 104th ed., Sec. 8 (Properties of Water)
  3. IAPWS — IAPWS Release on Static Dielectric Constant of Water
  4. Reichardt 2011 — Solvents and Solvent Effects in Organic Chemistry
  5. GESTIS — GESTIS Substance Database — Water
Ethanol (EtOH)
  1. NIST — NIST Chemistry WebBook — Ethanol (CAS 64-17-5)
  2. CRC — CRC Handbook — Ethanol physical constants
  3. Snyder & Kirkland — Modern Liquid Chromatography — Ethanol eluotropic
  4. Smallwood — Handbook of Organic Solvent Properties — Ethanol
  5. GESTIS — GESTIS Substance Database — Ethanol
Methanol (MeOH)
  1. NIST — NIST Chemistry WebBook — Methanol (CAS 67-56-1)
  2. CRC — CRC Handbook — Methanol physical constants
  3. Snyder & Kirkland — Modern Liquid Chromatography — MeOH eluotropic, eo=0.95
  4. GESTIS — GESTIS Substance Database — Methanol
Acetone
  1. NIST — NIST Chemistry WebBook — Acetone (CAS 67-64-1)
  2. CRC — CRC Handbook — Acetone physical & thermodynamic constants
  3. Hansen 2007 — Hansen Solubility Parameters — Acetone (dD=15.5, dP=10.4, dH=7.0)
  4. Smallwood — Handbook of Organic Solvent Properties — Acetone
  5. GESTIS — GESTIS Substance Database — Acetone
Acetonitrile (ACN)
  1. NIST — NIST Chemistry WebBook — Acetonitrile (CAS 75-05-8)
  2. CRC — CRC Handbook — Acetonitrile constants
  3. Snyder & Kirkland — Modern Liquid Chromatography — ACN gold-standard HPLC eluent
  4. Reichardt 2011 — Solvents and Solvent Effects — ACN dipolar aprotic
  5. GESTIS — GESTIS Substance Database — Acetonitrile
DMSO
  1. NIST — NIST Chemistry WebBook — DMSO (CAS 67-68-5)
  2. Wypych 2019 — Handbook of Solvents Vol. 1 — DMSO comprehensive properties
  3. Hansen 2007 — HSP — DMSO (dD=18.4, dP=16.4, dH=10.2)
  4. Reichardt 2011 — Solvents and Solvent Effects — DMSO E_T(30)=45.1, dipolar aprotic
  5. GESTIS — GESTIS Substance Database — DMSO
THF
  1. NIST — NIST Chemistry WebBook — THF (CAS 109-99-9)
  2. Armarego 2009 — Purification of Laboratory Chemicals — THF drying & peroxide test
  3. Hansen 2007 — Hansen Solubility Parameters — THF (dD=16.8, dP=5.7, dH=8.0)
  4. Smallwood — Handbook of Organic Solvent Properties — THF
  5. GESTIS — GESTIS Substance Database — Tetrahydrofuran
DCM (CH₂Cl₂)
  1. NIST — NIST Chemistry WebBook — Dichloromethane (CAS 75-09-2)
  2. IARC 71 — IARC Monograph 71 — DCM (Group 2A carcinogen)
  3. Hansen 2007 — Hansen Solubility Parameters — DCM (dD=18.2, dP=6.3, dH=6.1)
  4. Reichardt 2011 — Solvents and Solvent Effects — DCM polarity index
  5. GESTIS — GESTIS Substance Database — Dichloromethane
Chloroform (CHCl₃)
  1. NIST — NIST Chemistry WebBook — Chloroform (CAS 67-66-3)
  2. IARC 73 — IARC Monograph 73 — Chloroform (Group 2B carcinogen)
  3. Hansen 2007 — Hansen Solubility Parameters — CHCl3 (dD=17.8, dP=3.1, dH=5.7)
  4. Reichardt 2011 — Solvents and Solvent Effects — CHCl3 H-bond donor strength
  5. GESTIS — GESTIS Substance Database — Chloroform
n-Hexane
  1. NIST — NIST Chemistry WebBook — n-Hexane (CAS 110-54-3)
  2. ATSDR n-Hexane — ATSDR Toxicological Profile for n-Hexane — neuropatia obwodowa (n-Heksan NIE jest kancerogenem IARC)
  3. Hansen 2007 — Hansen Solubility Parameters — n-Hexane (dD=14.9, dP=0, dH=0)
  4. Snyder & Kirkland — Modern Liquid Chromatography — n-Hexane NP standard, eo=0.00
  5. GESTIS — GESTIS Substance Database — n-Hexane
Toluene
  1. NIST — NIST Chemistry WebBook — Toluene (CAS 108-88-3)
  2. IARC 71 — IARC Monograph 71 — Toluene
  3. Hansen 2007 — Hansen Solubility Parameters — Toluene (dD=18.0, dP=1.4, dH=2.0)
  4. Smallwood — Handbook of Organic Solvent Properties — Toluene
  5. GESTIS — GESTIS Substance Database — Toluene
溶解性理论(应用于相容性预测):
  1. Yalkowsky, Samuel H., and Shri C. Valvani. 1980. "Solubility and Partitioning I: Solubility of Nonelectrolytes in Water." Journal of Pharmaceutical Sciences 69 (8): 912–922. https://doi.org/10.1002/jps.2600690814 — General Solubility Equation (GSE): logS = 0.5 − logP − 0.01(MP−25).
  2. Hansen, Charles M. 2007. Hansen Solubility Parameters: A User's Handbook. 2nd ed. CRC Press. https://doi.org/10.1201/9781420006834 — HSP三元组(dD, dP, dH)+ Ra公式。
  3. Stefanis, E., and C. Panayiotou. 2008. "Prediction of Hansen Solubility Parameters with a New Group-Contribution Method." Int J Thermophys 29: 568–585. https://doi.org/10.1007/s10765-008-0415-z
  4. Reichardt, Christian, and Thomas Welton. 2011. Solvents and Solvent Effects in Organic Chemistry. 4th ed. Wiley-VCH. https://doi.org/10.1002/9783527632220 — E_T(30) polarity scale, solwatochromia.
  5. Snyder, Lloyd R., Joseph J. Kirkland, and John W. Dolan. 2010. Introduction to Modern Liquid Chromatography. 3rd ed. Wiley. https://doi.org/10.1002/9780470508183 — Eluotropic series, polarity index.
  6. Van Krevelen, D. W., and K. Te Nijenhuis. 2009. Properties of Polymers. 4th ed. Elsevier. https://doi.org/10.1016/B978-0-08-054819-7.X0001-5 — Hoftyzer–Van Krevelen group contribution dla dD/dP/dH z SMILES.
  7. Marcus, Yizhak. 1998. The Properties of Solvents. Wiley Series in Solution Chemistry, Vol. 4. ISBN 9780471983699 — 250+溶剂的完整表格数据集(ε、μ、供体数、受体数)。
  8. PubChem Compound Database — CAS 110-15-6 lookup ↗ — logP (XLogP3), water solubility experimental + predicted.

完整参考文献位于页面底部的参考文献折叠面板——芝加哥格式手册第17版作者-日期格式。

⚗️ 检查反应兼容性 MolGod_RXNCOMP_1
0 0 0
健康: 0/4
易燃性: 0/4
反应性: 0/4
根据NFPA 704 / 由H代码计算

检查Succinic Acid是否与另一种试剂兼容

📦 储存兼容性矩阵
酸类 氧化剂 易燃 毒性 Gazy
酸类
氧化剂
易燃
毒性
Gazy
✓ 可一起储存 · ⚠ 谨慎 · ✗ 禁止一起储存 · OSHA Chemical Segregation ↗

兼容性数据来源: Bretherick's Handbook (7th ed.) ↗, GESTIS ↗, ECHA REACH ↗, NFPA 704 ↗

🧮 实验室计算器(8个) MolGod_LABCALC_1
稀释(C₁V₁=C₂V₂)
摩尔浓度(M=n/V)
pH缓冲液(Henderson-Hasselbalch)
Beer-Lambert(A=εcl)
质量→摩尔
浓度%→M
ppm→mg/L
温度 C↔F↔K

已验证的配方: IUPAC Gold Book ↗, DOI ↗

📊 光谱数据库 MolGod_SPECDB_3
📋 实验室方案生成器 MolGod_PROTOCOL_1

方案基于以下内容生成: GHS SDS, Aldrich Lab Guide ↗

🏷️ 标签生成器(QR码) MolGod_LABEL_1
琥珀酸• succinic acid / butanedioic acid• IUPAC: butanedioic acid• CAS: 110-15-6• EC: 203-740-4• 分子式: C4H6O4• 摩尔质量: 118.09 g/mol危险GHS危险说明:(供应商自我分类——不具约束力)H318: 造成严重眼损伤P264: 作业后彻底清洗手部[和……]。仅供实验室使用!Anhui Eapearl Chemical Co., Ltd.12th Floor, Tongguan Number Valley, Tongling, Anhui, China+86 186 5620 1888[email protected]epchems.com
Deskryptory Lipinskiego (struktura)

类药性雷达图(Lipinski Ro5 / Veber)。绿色区域 = 符合标准。

预测数据 — 通过计算机模拟(SMILES/RDKit)计算的属性。不能替代临床研究。未经实验验证,不得用于药物评估。

MW118.1LogP-0.6HBD2HBA4RotB3TPSA74.6 Ų
✓ Lipinski Ro5✓ Veber✓ Egan✗ Ghose (MW=118, LogP=-0.6)✗ REOS (MW=118)✗ Lead-like Ro3 (HBA=4)
属性评级
吸收(GI)
血脑屏障通透性是(可透过)
生物利用度(Daina 2017)
55%
CYP450概况CYP1A2 non-inhibitorCYP2C9 non-inhibitorCYP2C19 non-inhibitorCYP2D6 non-inhibitorCYP3A4 non-inhibitor
PAINS警告0
Brenk警告0
pKa (pH 7.4)4.5 (predicted)
⚠ 毒理学(pkCSM):pkCSM响应无效
hERG(心脏毒性)
P-gp底物
Ames致突变性
DILI(肝毒性)
LogS(水溶性)
来源(ADMET方法学)
  1. Lipinski, Christopher A., Franco Lombardo, Beryl W. Dominy, and Paul J. Feeney. 1997. "Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings." Advanced Drug Delivery Reviews 23 (1-3): 3-25.
  2. Veber, Daniel F., Stephen R. Johnson, Hung-Yuan Cheng, et al. 2002. "Molecular properties that influence the oral bioavailability of drug candidates." Journal of Medicinal Chemistry 45 (12): 2615-2623.
  3. Daina, Antoine, Olivier Michielin, and Vincent Zoete. 2017. "SwissADME: a free web tool to evaluate pharmacokinetics, drug-likeness and medicinal chemistry friendliness." Scientific Reports 7: 42717.
  4. Egan, William J., and Gregory Lauri. 2002. "Prediction of intestinal permeability." Advanced Drug Delivery Reviews 54 (3): 273-289.
  5. Baell, Jonathan B., and Georgina A. Holloway. 2010. "New substructure filters for removal of pan assay interference compounds (PAINS) from screening libraries." Journal of Medicinal Chemistry 53 (7): 2719-2740.
  6. Brenk, Ruth, Alessandro Schipani, Daniel James, et al. 2008. "Lessons learnt from assembling screening libraries for drug discovery for neglected diseases." ChemMedChem 3 (3): 435-444.
  7. Ertl, Peter, and Ansgar Schuffenhauer. 2009. "Estimation of synthetic accessibility score of drug-like molecules based on molecular complexity and fragment contributions." Journal of Cheminformatics 1: 8.
  8. Bickerton, G. Richard, Gaia V. Paolini, Jérémy Besnard, Sorel Muresan, and Andrew L. Hopkins. 2012. "Quantifying the Chemical Beauty of Drugs." Nature Chemistry 4 (2): 90-98.
  9. Hopkins, Andrew L., and Colin R. Groom. 2002. "The Druggable Genome." Nature Reviews Drug Discovery 1 (9): 727-730.
  10. Ghose, Arup K., Vellarkad N. Viswanadhan, and John J. Wendoloski. 1999. "A Knowledge-Based Approach in Designing Combinatorial or Medicinal Chemistry Libraries for Drug Discovery." Journal of Combinatorial Chemistry 1 (1): 55-68.
  11. Tice, Raymond R., Christopher P. Austin, Robert J. Kavlock, and John R. Bucher. 2013. "Improving the Human Hazard Characterization of Chemicals: A Tox21 Update." Environmental Health Perspectives 121 (7): 756-765.
  12. Leeson, Paul D., and Brian Springthorpe. 2007. "The Influence of Drug-Like Concepts on Decision-Making in Medicinal Chemistry." Nature Reviews Drug Discovery 6 (11): 881-890.
  13. Hann, Michael M. 2011. "Molecular Obesity, Potency and Other Addictions in Drug Discovery." MedChemComm 2 (5): 349-355.
  14. Davies, Mark, Michał Nowotka, George Papadatos, et al. 2015. "ChEMBL Web Services: Streamlining Access to Drug Discovery Data and Utilities." Nucleic Acids Research 43 (W1): W612-W620.
  15. Walters, W. Patrick, and Mark A. Murcko. 2002. "Prediction of 'Drug-Likeness.'". Advanced Drug Delivery Reviews 54 (3): 255–271. https://doi.org/10.1016/S0169-409X(02)00003-0.
  16. Congreve, Miles, Robin Carr, Christopher Murray, and Harren Jhoti. 2003. "A 'Rule of Three' for Fragment-Based Lead Discovery?" Drug Discovery Today 8 (19): 876–877. https://doi.org/10.1016/S1359-6446(03)02831-9.
  17. Brenk, Ruth, Alessandro Schipani, Daniel James, Agata Krasowski, Iain Hugh Gilbert, Julie Frearson, and Paul Graham Wyatt. 2008. "Lessons Learnt from Assembling Screening Libraries for Drug Discovery for Neglected Diseases." ChemMedChem 3 (3): 435-444.
  18. Schomburg, Karen T., Sascha Bietz, Hans Briem, Andrea M. Henzler, Stefan Urbaczek, and Matthias Rarey. 2014. "Facing the Challenges of Structure-Based Target Prediction by Inverse Virtual Screening." Journal of Chemical Information and Modeling 54 (6): 1676-1686.
  19. Bemis, Guy W., and Mark A. Murcko. 1996. "The Properties of Known Drugs. 1. Molecular Frameworks." Journal of Medicinal Chemistry 39 (15): 2887-2893.
  20. Schomburg, Karen T., and Matthias Rarey. 2014. "What Is the Potential of Structure-Based Target Prediction Methods?" Future Medicinal Chemistry 6 (17): 1987-1989.
  21. Xie L, Chen H, Zhang L et al.. (2026). "Suppressing MASH fibrotic progression by blocking succinate-GPR91 signaling in HSCs.". Hepatology (Baltimore, Md.). https://doi.org/10.1097/HEP.0000000000001405
  22. (2026). "Cartoon / Vorschau". Leidfaden. https://doi.org/10.13109/leid.2026.15.3.110
  23. Pålsson-McDermott EM, O'Neill LAJ. (2025). "Gang of 3: How the Krebs cycle-linked metabolites itaconate, succinate, and fumarate regulate macrophages and inflammation.". Cell metabolism. https://doi.org/10.1016/j.cmet.2025.03.004
  24. Liang L, Kuang X, He Y et al.. (2025). "Alterations in PD-L1 succinylation shape anti-tumor immune responses in melanoma.". Nature genetics. https://doi.org/10.1038/s41588-025-02077-6
  25. Wang H, Hu D, Cheng Y et al.. (2025). "Succinate drives gut inflammation by promoting FOXP3 degradation through a molecular switch.". Nature immunology. https://doi.org/10.1038/s41590-025-02166-y
  26. Wang C, Yu X, Yu X et al.. (2025). "Gut flora-derived succinate exacerbates Allergic Airway Inflammation by promoting protein succinylation.". Redox biology. https://doi.org/10.1016/j.redox.2025.103623
  27. Ma K, Cheng H, Wang L et al.. (2025). "Succinate preserves CD8(+) T cell fitness to augment antitumor immunity.". Immunity. https://doi.org/10.1016/j.immuni.2025.07.017
  28. Lu S, Li J, Li Y et al.. (2025). "Succinate-loaded tumor cell-derived microparticles reprogram tumor-associated macrophage metabolism.". Science translational medicine. https://doi.org/10.1126/scitranslmed.adr4458
  29. Nengroo MA, Klein AT, Carr HS et al.. (2025). "Accumulation of succinate suppresses de novo purine synthesis through succinylation-mediated control of the mitochondrial folate cycle.". Molecular cell. https://doi.org/10.1016/j.molcel.2025.10.002
  30. Huang H, Li G, He Y et al.. (2024). "Cellular succinate metabolism and signaling in inflammation: implications for therapeutic intervention.". Frontiers in immunology. https://doi.org/10.3389/fimmu.2024.1404441
  31. Zhao X, Yang X, Du C et al.. (2024). "Up-regulated succinylation modifications induce a senescence phenotype in microglia by altering mitochondrial energy metabolism.". Journal of neuroinflammation. https://doi.org/10.1186/s12974-024-03284-4
  32. Rawal S, Randhawa V, Rizvi SHM et al.. (2024). "miR-369-3p ameliorates diabetes-associated atherosclerosis by regulating macrophage succinate-GPR91 signalling.". Cardiovascular research. https://doi.org/10.1093/cvr/cvae102
  33. Han G, Cui M, Lu P et al.. (2024). "Selective translation of nuclear mitochondrial respiratory proteins reprograms succinate metabolism in AML development and chemoresistance.". Cell stem cell. https://doi.org/10.1016/j.stem.2024.09.008
  34. Glenn Wagner, Chunyu Guo, Philip J. W. Moll et al.. (2023). "Phenomenology of bond and flux orders in kagome metals". arXiv (2307.02528v2). https://doi.org/10.1103/physrevb.108.125136
  35. Ben-Arosh H, Avraham R. (2023). "Tissue-specific macrophage immunometabolism.". Current opinion in immunology. https://doi.org/10.1016/j.coi.2023.102369
  36. Shen T, Lin R, Hu C et al.. (2023). "Succinate-induced macrophage polarization and RBP4 secretion promote vascular sprouting in ocular neovascularization.". Journal of neuroinflammation. https://doi.org/10.1186/s12974-023-02998-1
  37. Qinqin Wang, Jian Tang, Xiaomei Li et al.. (2022). "Layer-by-Layer Epitaxy of Multilayer MoS2 Wafers". arXiv (2203.09720v1). https://doi.org/10.1093/nsr/nwac077
  38. M. Bozkurt, M. R. Mahani, P. Studer et al.. (2013). "Magnetic Anisotropy of Single Mn Acceptors in GaAs in an External Magnetic Field". arXiv (1304.3303v2). https://doi.org/10.1103/physrevb.88.205203
  39. (2011). "Clúdach: Cover". New Hibernia Review. https://doi.org/10.1353/nhr.2011.0038
  40. W. C. McCrone, Ralph. Hites. 1954. "Crystallographic Data. 78. Succinic Acid I (Butanedioic Acid)." Analytical Chemistry. DOI: 10.1021/ac60086a050. [DOI ↗]
  41. Worberg, Andreas. 2025. "Succinic Acid and Succinic Anhydride." Kirk‐Othmer Encyclopedia of Chemical Technology. DOI: 10.1002/0471238961.1921030306211301.a01.pub3. [DOI ↗]
  42. 2011. "Succinic acid." Drugs Handbook 2012–2013. DOI: 10.5040/9781350363595.art-1639. [DOI ↗]
  43. Masse, C. E. 2007. "Succinic Acid by Hydrolysis of Succinic Anhydride." Three Carbon-Heteroatom Bonds: Acid Halides; Carboxylic Acids and Acid Salts. DOI: 10.1055/sos-sd-020-00297. [DOI ↗]
  44. "Succinic Acid." DOI: 10.31003/uspnf_r2516_01_01. [DOI ↗]
  45. "Succinic Acid." DOI: 10.31003/uspnf_m727_04_01. [DOI ↗]
  46. "Succinic Acid." DOI: 10.31003/fcc_f100606_03_01. [DOI ↗]
  47. "Succinic Acid." DOI: 10.31003/uspnf_m727_05_01. [DOI ↗]
  48. "Adsorption of Pyruvic and Succinic Acid by Amine-Functionalized SBA-15 for the Purification of Succinic Acid from Fermentation Broth." DOI: 10.1021/jp072606g.s001. [DOI ↗]
  49. Anonymous. "Succinic Acid.". https://doi.org/10.31003/uspnf_r2516_01_01. [DOI ↗]
  50. Anonymous. "Succinic Acid.". https://doi.org/10.31003/uspnf_m727_04_01. [DOI ↗]
  51. Anonymous. "Succinic Acid.". https://doi.org/10.31003/fcc_f100606_03_01. [DOI ↗]
  52. Anonymous. "Succinic Acid.". https://doi.org/10.31003/uspnf_m727_05_01. [DOI ↗]
  53. Anonymous. "Adsorption of Pyruvic and Succinic Acid by Amine-Functionalized SBA-15 for the Purification of Succinic Acid from Fermentation Broth.". https://doi.org/10.1021/jp072606g.s001. [DOI ↗]
  54. Bolton, Evan E., Yanli Wang, Paul A. Thiessen, and Stephen H. Bryant. 2008. "PubChem: Integrated Platform of Small Molecules and Biological Activities." Annual Reports in Computational Chemistry 4: 217-241. [DOI ↗]
  55. Kim, Sunghwan, Jie Chen, Tiejun Cheng, et al. 2023. "PubChem 2023 update." Nucleic Acids Research 51 (D1): D1373-D1380. [DOI ↗]
  56. Kim, Sunghwan, Tiejun Cheng, Jianyong He, Chen Cheng, et al. 2021. "PubChem Protein, Pathway, Reaction, and Disease Specifications." Journal of Cheminformatics 13: 16. [DOI ↗]
  57. Hähnke, Volker D., Sunghwan Kim, and Evan E. Bolton. 2018. "PubChem chemical structure standardization." Journal of Cheminformatics 10: 36. [DOI ↗]
  58. Wang, Yanli, Stephen H. Bryant, Tiejun Cheng, Jiyao Wang, et al. 2017. "PubChem BioAssay: 2017 update." Nucleic Acids Research 45 (D1): D955-D963. [DOI ↗]
  59. Cheng, Tiejun, et al. 2014. "Computation of Octanol-Water Partition Coefficients by Guiding an Additive Model with Knowledge." Journal of Chemical Information and Modeling 54 (3): 793-805. [DOI ↗]
  60. 2013. "Copper = Leslie M. Klevay." https://doi.org/10.1201/B13959-20. [DOI ↗]
  61. 2013. "Dong Quai." https://doi.org/10.1201/B14669-29. [DOI ↗]
  62. PubMed PMID nchembio.2007.47-comp2. (Metadata fetch failed.)
  63. PubMed PMID nchembio856-comp9. (Metadata fetch failed.)
  64. PubMed PMID nchembio.186-comp50. (Metadata fetch failed.)
  65. PubMed PMID nchembio.198-comp17. (Metadata fetch failed.)
  66. PubMed PMID nchembio.266-comp26. (Metadata fetch failed.)
  67. PubMed PMID NATSYNTH-23070705-comp2. (Metadata fetch failed.)
  68. PubMed PMID PubChem. (Metadata fetch failed.)
  69. 2025. "Electro-Stimulated Dual-Species Catalysis Enables CO<sub>2</sub> Fixation Toward Selective 1,4-Butanedioic Acid Biosynthesis." DOI: 10.1002/cssc.202501802. [DOI ↗]
  70. S.K.Amjath Kudos, S. Madhan Kumar, Binisha B et al. 2024. "Exploring Synthesis and Characterization of Bioactive Molecule Carbamide Butanedioic Acid – a Dft Approach." DOI: 10.2139/ssrn.4726689. [DOI ↗]
  71. Yong-Soon Kim Yong-Soon Kim, Dae-Sik Rha Dae-Sik Rha. 2024. "Acute Inhalation Toxicity of Butanedioic Acid: A Study in Rats." The Korean Society for Veterinary Nursing. DOI: 10.56878/jvn.2024.3.2.69. [DOI ↗]
  72. Wilkinson, Mark D., et al. 2016. "The FAIR Guiding Principles for scientific data management and stewardship." Scientific Data 3: 160018. [DOI ↗]
  73. et al. 2015. "Study of urinary 2-{[2-(acetylamino-2-carboxyethyl]sulfanyl}butanedioic acid, a mercapturic acid of rats treated with maleic acid." DOI: 10.1016/j.toxlet.2015.05.011. [DOI ↗]
  74. Hersey, Anne, et al. 2015. "Chemical databases: curation or integration by user-defined equivalence?" Drug Discovery Today: Technologies 14: 17-24.
  75. 2020. "Neprilysin inhibitors." [ChEMBL bioactivity primary lit]
  76. Jung, Yonghwan, Song, Jin Sook, Ahn, Sunjoo. 2022. "Pharmacokinetics and Tissue Distribution of 13C-Labeled Succinic Acid in Mice." Nutrients 14 (22): 4757. https://doi.org/10.3390/nu14224757. [DOI ↗]
  77. Ramakrishna, A., Rao, G. Nageswara. 2007. "Effect of urea on speciation of cobalt(II) complexes of L-glutamine and succinic acid." Chemical Speciation & Bioavailability 19 (3): 103-108. https://doi.org/10.3184/095422907x236263. [DOI ↗]
  78. Veber, Daniel F., Stephen R. Johnson, Hung-Yuan Cheng, Brian R. Smith, Keith W. Ward, and Kenneth D. Kopple. 2002. "Molecular Properties That Influence the Oral Bioavailability of Drug Candidates." Journal of Medicinal Chemistry 45 (12): 2615-2623.
  79. ECHA. 2024. "REACH Guidance." European Chemicals Agency.
  80. Groom, Colin R., Ian J. Bruno, Matthew P. Lightfoot, and Suzanna C. Ward. 2016. "The Cambridge Structural Database." Acta Crystallographica Section B 72 (2): 171-179.
🧪 溶液配制助手(Smart Prep) MolGod_PREP_2

输入您要制备的内容——我将生成SOP

示例如下——点击插入:
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📚 科学文献概览 — CAS 110-15-6MolGod_LITHUB_MAIN
⭐ 关键发现(科学文献) 17 出版物
🏆 CAS 110-15-6 — multi-criteria ranking (W12): 30%引用·20%近期性·20%主题·15%历史·15%开放获取.
  1. #1
    Triya Mukherjee; Venkata Mohan S. (2025) · ChemSusChem
    重要性: 近期(2025)
    SCORE 8.9 机制 Citations: 1 DOI ↗ PubMed ↗
  2. #2
    et al. (2025) · Journal of Molecular Graphics and Modelling
    重要性: 近期(2025) · open access
    SCORE 7.85 机制 Open Access DOI ↗ PubMed ↗
  3. #3
    et al. (2020) · PLOS ONE
    重要性: Open access
    SCORE 7.58 工业 Citations: 5 Open Access DOI ↗ PubMed ↗
  4. #4
    S.K.Amjath Kudos, S. Madhan Kumar, Binisha B et al. (2024)
    重要性: 近期(2024) · open access
    SCORE 7.05 机制 Open Access DOI ↗
  5. #5
    Jung Y; Song JS; Ahn S (2022) · Nutrients
    重要性: 必引文献(经典)
    SCORE 5.2 药理学 MUST-CITE DOI ↗
  6. #6
    Chen W, Xiao J, Zhou Y et al. (2024) · Phytomedicine : international journal of phytotherapy and phytopharmacology
    重要性: 近期(2024)
    SCORE 4.8 药理学 DOI ↗ PubMed ↗
  7. #7
    Kleps C; Malchow R; Ettinger J et al. (2025) · New biotechnology
    重要性: 必引文献(经典) · 近期(2025)
    SCORE 4 工业 MUST-CITE DOI ↗
  8. #8
    Yong-Soon Kim Yong-Soon Kim, Dae-Sik Rha Dae-Sik Rha (2024) · The Korean Society for Veterinary Nursing
    重要性: 近期(2024)
    SCORE 4 药理学 DOI ↗
  9. #9
    Cai Y, Chen Z, Chen E et al. (2024) · Inflammation
    重要性: 近期(2024)
    SCORE 4 机制 DOI ↗ PubMed ↗
  10. #10
    W. C. McCrone, Ralph. Hites (1954) · Analytical Chemistry
    重要性: 历史论文(1954)
    SCORE 3.92 历史 Citations: 10 DOI ↗
  11. #11
    Wang C; Su X; Sun W et al. (2018) · Bioresource technology
    重要性: 必引文献(经典)
    SCORE 2.4 工业 MUST-CITE DOI ↗
  12. #12
    Alexandri M; Papapostolou H; Stragier L et al. (2017) · Bioresource technology
    重要性: 必引文献(经典)
    SCORE 2.1 工业 MUST-CITE DOI ↗
  13. #13
    (2017) · ACS Reagent Chemicals
    重要性: 通过多标准评分选择(引用+近期性+主题+历史+开放获取)。
    SCORE 2.1 机制 DOI ↗
  14. #14
    (2017) · ACS Reagent Chemicals
    重要性: 通过多标准评分选择(引用+近期性+主题+历史+开放获取)。
    SCORE 2.1 机制 DOI ↗
  15. #15
    (2017) · ACS Reagent Chemicals
    重要性: 通过多标准评分选择(引用+近期性+主题+历史+开放获取)。
    SCORE 2.1 机制 DOI ↗
  16. #16
    (2017) · ACS Reagent Chemicals
    重要性: 通过多标准评分选择(引用+近期性+主题+历史+开放获取)。
    SCORE 2.1 机制 DOI ↗
  17. #17
    Method for producing butanol and butanedioic acid by fermentation
    et al. (2008)
    重要性: 通过多标准评分选择(引用+近期性+主题+历史+开放获取)。
    SCORE 0 机制
🔬 HPLC — 方法与参数 — CAS 110-15-6MolGod_HPLCHUB_MAIN
📈 HPLC梯度——优化器(LSS) 模板

基于PubChem XLogP3 + LSS(Snyder等人,2010,第9章)的梯度。

  • 色谱柱: C18
  • 缓冲液: phosphate
  • 流速: 1 mL/min
  • logP: -0.6 (PubChem XLogP3)
  • 斜率: 5% → 95% B, 10 min
  • 总分析时间: 23 min
t (min) %A %B flow (mL/min) 备注
0 95 5 1 开始(平衡)
2 95 5 1 初始保持结束
12 5 95 1 LSS 梯度结束
17 5 95 1 色谱柱清洗
18 95 5 1 返回初始条件
23 95 5 1 再平衡
📚 科学参考文献(芝加哥作者-日期格式)
  1. Snyder, Lloyd R., John W. Dolan, and Joseph J. Kirkland. 2010. Introduction to Modern Liquid Chromatography. Wiley. — Chapter 9 — gradient elution, LSS theory (cited as Snyder et al. 2010 in tool description).
  2. Schoenmakers, Peter J. 1986. Optimization of Chromatographic Selectivity: A Guide to Method Development. Elsevier. — Numerical optimization of gradient programs.
  3. Snyder, L. R., and J. W. Dolan. 2007. High-Performance Gradient Elution: The Practical Application of the Linear-Solvent-Strength Model. Wiley. — Foundational LSS reference for the %B_init = 5 + 8·logP heuristic implemented here.
  4. Nikitas, Pavlos, and Adrian Pappa-Louisi. 2009. "Retention models for isocratic and gradient elution in reversed-phase liquid chromatography." Journal of Chromatography A 1216: 1737-1755. [DOI ↗] — Modern review of gradient retention models — basis for non-LSS extensions.
  5. Carr, Peter W.. 2009. "The new physical chemistry of HPLC." Journal of Chromatography A 1216: 1764-1772. [DOI ↗]
  6. Dong, Michael W. 2019. HPLC and UHPLC for Practicing Scientists. Wiley. https://doi.org/10.1002/9781119313793. — Modern UHPLC gradient programming, sub-2 µm scaling rules.
  7. Wu, Naijun, and Anton M. Clausen. 2007. "Fundamental and practical aspects of ultrahigh pressure liquid chromatography for fast separations." Journal of Separation Science 30: 1167-1182. [DOI ↗]
  8. Stoll, Dwight R., and Peter W. Carr. 2017. "Two-Dimensional Liquid Chromatography: A State of the Art Tutorial." Analytical Chemistry 89: 519-531. [DOI ↗] — Reference for orthogonal gradient design (2D-LC second dimension).
  9. Dolan, John W.. 2013. "When to Modify Method Conditions." LCGC North America 31: 192-199.
  10. Meyer, Veronika R. 2010. Practical High-Performance Liquid Chromatography. Wiley. — Chapter 7 — practical gradient design with isokratyczny scouting.

REST: /wp-json/molgod/v1/hplc/gradient/110-15-6

📐 色谱柱尺寸 — van Deemter 计算器 N=12,466

公式:H = A + B/u + C·u(Van Deemter等,1956),N = L/H,ΔP ≈ η·L·u / (K_p·dp²)(Knox,1977)。u_opt = √(B/C)(Giddings,1965)。

尺寸150 × 4.6 mm, 5 µm
理论塔板数 (N)12,466
u_opt 时的 N12,500
HETP(理论塔板高度,当前)12.032 µm
最小 HETP12 µm
线速度 (u)0.1003 cm/s
u_opt (van Deemter)0.12 cm/s
背压 (ΔP)42.1 bar
分析时间(死体积)2.49 min
📚 科学参考文献(芝加哥作者-日期格式)
  1. Van Deemter, J. J., F. J. Zuiderweg, and A. Klinkenberg. 1956. "Longitudinal diffusion and resistance to mass transfer as causes of nonideality in chromatography." Chemical Engineering Science 5: 271-289. https://doi.org/10.1016/0009-2509(56)80003-1 — Original van Deemter equation paper — basis of H = A + B/u + C·u in this calculator.
  2. Giddings, J. Calvin. 1965. "Dynamics of Chromatography, Part I: Principles and Theory.". Marcel Dekker. — Theoretical underpinning of HETP minimum and u_opt = sqrt(B/C).
  3. Poppe, Hans. 1997. "Some reflections on speed and efficiency of modern chromatographic methods." Journal of Chromatography A 778: 3-21. https://doi.org/10.1016/S0021-9673(97)00376-2 — Speed-efficiency Pareto plot — context for sub-2 µm UHPLC scaling.
  4. Wu, Naijun, and Anton M. Clausen. 2007. "Fundamental and practical aspects of ultrahigh pressure liquid chromatography for fast separations." Journal of Separation Science 30: 1167-1182. https://doi.org/10.1002/jssc.200700026 — UHPLC pressure scaling — extends Darcy ΔP formula to sub-2 µm particles.
  5. Carr, Peter W.. 2009. "The new physical chemistry of HPLC." Journal of Chromatography A 1216: 1764-1772. https://doi.org/10.1016/j.chroma.2008.11.094 — Modern reinterpretation of A, B, C terms (eddy diffusion vs. b-term).
  6. Knox, John H.. 1977. "Practical aspects of LC theory." Journal of Chromatographic Science 15: 352-364. https://doi.org/10.1093/chromsci/15.9.352 — Reduced plate height equation h = a·v^(1/3) + b/v + c·v.
  7. Dong, Michael W.. 2019. "HPLC and UHPLC for Practicing Scientists.". Wiley (2nd ed.). https://doi.org/10.1002/9781119313793 — Practical N targets vs particle size table (UHPLC method scaling).
  8. Snyder, L. R., J. J. Kirkland, and J. L. Glajch. 1997. "Practical HPLC Method Development.". Wiley (2nd ed.). — Column dimensioning rules of thumb (L, dp, dc) for given α and N.
  9. Engelhardt, Heinz. 2014. "100 Years of Chromatography.". Wiley-VCH (2nd ed.).
  10. Meyer, Veronika R.. 2010. "Practical High-Performance Liquid Chromatography.". Wiley (5th ed.).

REST: /wp-json/molgod/v1/hplc/column/110-15-6

🧪 流动相——相容性矩阵 互溶
组分 名称 UV截止波长(nm) P' 检测器
溶剂 Acetonitrile (MeCN) 190 5.8 UV, MS, ELSD, RID, FLD
溶剂 Water 190 10.2 UV, MS, ELSD, RID, FLD
缓冲液 Phosphate (KH2PO4 / K2HPO4) 195 pH 2.0-3.0 / 6.5-8.0 / 11.0-12.5 MS ✗

检测器: UV — 与两种溶剂均兼容.

📚 科学参考文献(芝加哥作者-日期格式)
  1. Sadek, Paul C.. 2002. "The HPLC Solvent Guide.". Wiley-Interscience (2nd ed.).
  2. Snyder, L. R.. 1978. "Classification of the solvent properties of common liquids." Journal of Chromatographic Science 16: 223-234. https://doi.org/10.1093/chromsci/16.6.223
  3. Reichardt, Christian, and Thomas Welton. 2010. "Solvents and Solvent Effects in Organic Chemistry.". Wiley-VCH (4th ed.).
  4. Vailaya, Anant, and Csaba Horváth. 1998. "Retention thermodynamics in hydrophobic interaction chromatography." Industrial & Engineering Chemistry Research 37: 4040-4055. https://doi.org/10.1021/ie980212h
  5. Krstulović, Andrea M., and Phyllis R. Brown. 1981. "Reversed-phase High-Performance Liquid Chromatography.". Wiley.
  6. Snyder, L. R., J. J. Kirkland, and J. L. Glajch. 1997. "Practical HPLC Method Development.". Wiley (2nd ed.).
  7. Carr, Peter W.. 2009. "The new physical chemistry of HPLC." Journal of Chromatography A 1216: 1764-1772. https://doi.org/10.1016/j.chroma.2008.11.094
  8. Boysen, Reinhard I., and Milton T. W. Hearn. 2009. "Multi-modal HPLC of proteins." Journal of Chromatographic Science 47: 645-654. https://doi.org/10.1093/chromsci/47.8.645
  9. Dong, Michael W.. 2019. "HPLC and UHPLC for Practicing Scientists.". Wiley (2nd ed.). https://doi.org/10.1002/9781119313793
  10. Meyer, Veronika R.. 2010. "Practical High-Performance Liquid Chromatography.". Wiley (5th ed.).

REST: /wp-json/molgod/v1/hplc/mobile-phase?solvent_a=...&solvent_b=...

完整HPLC方法指南 同行评审

分子特定场景、故障排除和文献参考

Molecular Predictor

The predicted parameters for this molecule (CAS 110-15-6) are based on literature-backed models (Snyder-Dolan LSS, Neue pore-size rules).

Retention Time
-0.3 min
Range: 0.5 – -0.39
confidence: medium
Model: Snyder-Dolan LSS na kolumnie C18 150×4.6 mm, gradient 5→95% B w 15 min
UV λmax
210 nm
confidence: medium
No strong chromophore detected → 210 nm uniwersalne
Concentration
0.5 mg/mL
= 4.234 mM
confidence: high
Safe linear range detektora UV (nie przekroczy 1.5 AU)
Buffer pH
2
Range: 1.5 – 2.5
confidence: medium
Acid (pKa=0) → mobile phase pH 2 keeps the neutral form (better peak shape)
Injection Volume
20 μL
confidence: medium
Smaller volume for larger molecules (avoiding peak broadening)

⚠️ Predykcje oparte na modelach chemometrycznych — require validation against an actual measurement. Confidence: low/medium/high depending on the available descriptors.

化学家的真实问题

What is „system suitability" and do I have to do it?

The teacher said „run an SST". You have no idea what that is. The USP method has a checklist — 4 parameters. Which are critical?

我们的解决方案

1

Exact Solvent List

Name + CAS + Grade + Role in method

2

Grade Explanations

HPLC vs LC-MS vs Far UV — when to use which

3

Consumption Calculator

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交互式计算器

Deep Education

理解流动相化学

Why Acetonitrile vs Methanol?
PropertyAcetonitrile (ACN)Methanol (MeOH)
Viscosity (20°C)0.37 cP0.59 cP (+59%)
Back Pressure~150 bar~210 bar (+40%)
UV Cutoff190 nm205 nm
Elution StrengthStrongerWeaker
Price (typical)115 PLN/L70 PLN/L (-39%)
Van Deemter Equation Impact

H = A + B/u + Cu

Higher viscosity (MeOH) → lower optimal flow rate → longer runtime.

Buffer Selection: Why NH₄HCO₃?
  • Volatile: MS-compatible (evaporates without residue)
  • pH range: 6.5–8.5 (ideal for most organic acids)
  • Shelf life: 4 weeks @ 4°C (make fresh weekly)
  • Concentration: 10 mM optimal (higher = ion suppression in MS)

Common Mistake: Using old buffer (>1 week room temp) = pH drift + microbial growth → ghost peaks.

Cost Savings Calculator

How much you save by using naszej metody zamiast alternatyw? Kwartalne koszty labu HPLC.

1. Solwenty — ACN vs MeOH

Nasza (ACN)Alternatywa (MeOH)
Cena/L115 PLN70 PLN
Runtime/sample23 min32 min (+40%)
Back pressure150 bar210 bar
Solwent/sample~130 mL~180 mL
Koszt/sample~5 PLN~4.5 PLN
Czas/sample23 min32 min
Czas pracy chemika
Total/quarter

2. Kolumna — z guard vs bez

Nasza (z guard)Bez guard
Guard column200 PLN / 100 inj
Main column lifetime2000 inj500 inj
Columns / quarter
Guards / quarter
Downtime wymiany (h)
Total/quarter

3. Method development — SOP vs scratch

Nasza (SOP template)Custom dev
Initial setup1 h (use template)40 h (screening of phases, columns, gradients)
Walidacja (ICH Q2)8 h24 h
Dokumentacja2 h (edit template)16 h
Ryzyko OOS w Q1~2%~15%
Total (jednorazowo)

4. Fast gradient (high-throughput) — ROI

Fast (5 min)Standard (23 min)
Runtime/sample5 min23 min
Samples/8h shift
Shifts potrzebnych
Koszt pracy
Savings
Total annual savings:

常见问题

NIE dla LC-MS (sole w wodzie dest. → piki duchów). OK dla UV-HPLC tylko jeśli filtrujesz 0.22 μm. Bezpiecznie: HPLC grade 9 zł/L.

Source: ResearchGate

Dla logP= rekomendacja zależy: jeśli logP<2 (polarny) → MeOH retencja wystarczy; logP≥2 (niepolarny) → ACN daje lepszy peak shape. Dla tej molekuły (MW=118.09, CAS 110-15-6) zaczynaj od ACN w gradiencie 5→95% B.

Source: Snyder LSS Model

0.79 g NH₄HCO₃ (MW 79.06). Dissolve in 900 mL, make up to 1000 mL, check pH = 7.0±0.2.

Source: r/chemistry

ACN: niższa lepkość (mniejsze ciśnienie), UV cutoff 190 nm. MeOH: 40% tańszy, ale wyższe ciśnienie +50 bar i UV cutoff 205 nm. Dla gradientu: ACN preferowany.

Source: Chromatography Forum

Gradient Problem From The Lab

Impurity profiling per ICH Q3

You are developing a stability-indicating method. You have to detect impurities at the 0.05% level. System suitability: Rs ≥ 2.0, LOD 0.01%.

Our Gradient Strategy

  • Initial hold 0–2 min @ 5% B — sample adsorbs on the head
  • Ramp 2–15 min do 95% B — linear, curve 6 (Empower)
  • Final hold 15–20 min @ 95% B — elute strongly retained
  • Re-equilibrate 20–23 min back to 5% B + 5 col.volumes

Gradient Visualizer

Gradient Timeline

#Time%B start%B endDurationSlope (Δ%B/min)Step

Slope & Dwell Volume Test

Slope (Δ%B/min)
Gradient volume (mL)
Dwell vol estimate (mL)
k*·t0 (dla Rs)

💡 Rule of thumb: slope 2-5 %B/min gives the best peak shape · dwell vol = empty tubing from the pump to the column (check a blank run without the column) · k*·t0 ≥ 3 dla Rs ≥ 2.0.

Snyder-Dolan LSS Model

Log k = log kw − S·φ, gdzie φ = fraction B. Optymalny gradient: Δφ ≈ 0.6–0.8 per 5 t0. Dla kolumny 250×4.6mm @ 1 mL/min → t0 ≈ 2 min → gradient 10–12 min.

常见问题

Linear = płynne odklejanie związku od kolumny = lepszy peak shape (Tf < 1.3). Step gradient daje shock waves = artifacts.

Source: Snyder Seminar

Heurystyka Snyder: Rt ≈ 2.5·logP + 1.2 min. Dla butanedioic acid (logP=) → szacunkowe Rt=— min. ±30% wariancja zależnie od dead volume i gradient slope. Walidacja: wstrzyknij standard 10 μg/mL, zmierz Rt rzeczywisty, dostosuj gradient.

Source: Predictive modeling

Heurystyka Snydera: start%B = (logP - 1) × 10. Dla logP=2 → start 10% B. Zawsze z 2 min isocratic hold aby pozwolić próbce zaadsorbować.

Source: LCGC

Column Choice Dilemma

48 godzin stracone na niewidoczne piki

Day 1 — I prepared the sample, injected it, baseline flat. Day 2 — I repeated it 6× with different samples. Nothing. Wave check? Professor: "Take a look at the DAD scan". λ_max = 214 nm, and I had 254 nm set.
Lesson learned (Anna K., studentka 2. rok, PW, 2024-11-15):
ALWAYS run a UV scan of an unknown compound BEFORE the method. 254 nm = aromatics only. 210 nm = universal. Time saved: 2 days of work.

Recommended Columns

A

Zorbax Eclipse Plus C18

150×4.6 mm · 3.5 μm · pH 2–9

B

Waters XBridge C18

150×4.6 mm · 3.5 μm · pH 1–12 (high pH)

C

Phenomenex Kinetex C18

100×4.6 mm · 2.6 μm core-shell · fast

Column Lifetime Rules

  • Clean samples: 2000–5000 injections
  • Biological matrix: 500–1000 injections
  • Crude extracts: 100–500 injections
  • Guard column = +4× main column lifetime

常见问题

Mała kolumnka (2cm) PRZED główną. Łapie zanieczyszczenia. Koszt 200 PLN, wymiana co 100 wstrzyknięć. Oszczędność: 1600 PLN na lifetime głównej kolumny.

Source: Agilent App Notes

C18 (18 węgli, bardziej lipofilowa) dla logP 0-5. C8 (8 węgli) dla bardzo polarnych (logP <0). C4 dla białek. Twój związek logP~2 → C18.

Source: Phenomenex Knowledge

Rule of thumb: analyty MW10000 (białka) → pore 1000 Å. Dla MW=118.09 (CAS 110-15-6) użyj standardowej kolumny C18 100 Å.

Source: Phenomenex Guide

Detection Gotcha

How to prepare the mobile phase for the first time

Protokół mówi "ACN/H₂O 60:40". W szafce masz ACN HPLC grade i wodę z kranu. Nikt ci nie powiedział, że kran = dramat. Koszt błędu: zniszczona kolumna 1800 PLN.

DAD Settings

ParameterValueWhy
Wavelength210 nm (primary) + 254 nm (aromatic)Uniwersalne dla COOH/C=O
Bandwidth4 nmBalance of sensitivity vs selectivity
Response time0.5 sZgodne z peak width ~5 s
Reference λ360 nm, bw 100 nmKompensacja baseline drift

Alternative Detectors

  • RID — for compounds without UV absorbance (sugars, polymers). Sensitivity x1000 lower.
  • ELSD — uniwersalny, ale destroys sample (niezgodny z MS).
  • LC-MS/MS — LOD 1 pg, strukturalna potwierdzenie via MRM.
  • CAD — charged aerosol, lepsze od ELSD dla lipid/polar.

Validation Reality Check

Data integrity — ALCOA+ w Empower

MHRA audit in 3 weeks. Empower history must show a complete audit trail. What to check in 150 sequences from 2026-Q1?

USP <621> + ICH Q2(R1) Criteria

ParameterAcceptanceFormula
Resolution (Rs)≥ 2.02(tR2 − tR1) / (w1 + w2)
Tailing factor (Tf)≤ 1.5W0.05 / (2·f)
Plates (N)≥ 500016·(tR / w)²
RSD (6 injections)≤ 2.0%σ / μ × 100%
Linearity (R²)≥ 0.999080–120% spec, 5 levels

Pre-Flight SST Checklist

  • Inject the standard 6× in a row
  • Calculate Rs, Tf, N, RSD for each
  • ALL pass → proceed with samples
  • ANY fail → STOP, troubleshoot FIRST

Regulatory Compliance

The method was designed in accordance with the regulations below. Click a badge to see compliance details.

USP <621> Chromatography Compliant

United States Pharmacopeia General Chapter — requirements for HPLC systems.

  • Resolution (Rs) &geq; 2.0
  • Tailing factor (Tf) &leq; 2.0
  • Theoretical plates (N) &geq; 2000
  • Relative standard deviation (RSD) &leq; 2.0% (6 replicates)

Reference: USP-NF 2024, General Chapter <621> Chromatography

ICH Q2(R1) Method Validation Compliant

International Council for Harmonisation — walidacja metod analitycznych.

  • Specificity — baseline separation of all analytes
  • Linearity — R² &geq; 0.9990, 5 levels (80–120% of spec)
  • Accuracy — 98–102% recovery
  • Precision — RSD &leq; 2.0% (repeatability), &leq; 3.0% (intermediate)
  • Robustness — DoE across 5 factors (flow ±10%, temp ±5°C, pH ±0.2, %B ±2%, λ ±2 nm)

Reference: ICH Q2(R1) Validation of Analytical Procedures, 2005

EP 2.2.46 European Pharmacopoeia Compliant

European Pharmacopoeia — chromatographic separation techniques.

  • Harmonizowane z USP
  • System suitability identical do USP
  • Dopuszczalne substytucje kolumn per „same selectivity"

Reference: EP 11.0, Chapter 2.2.46

JP 2.00 Japanese Pharmacopoeia Compliant

Japanese Pharmacopoeia — aligned with USP/EP harmonisation after 2020.

  • Harmonizowane z USP post-2020
  • Japanese labs may require additional local validation

Reference: JP 18th Edition, General Chapter 2.00

FDA 21 CFR 211 cGMP Compliant

Current Good Manufacturing Practice for pharmaceutical products (USA).

  • §211.22 — QC unit responsibilities
  • §211.160 — laboratory controls
  • §211.165 — testing and release
  • §211.194 — laboratory records (complete + audit trail)
  • Data integrity per ALCOA+

Reference: 21 CFR Part 211 — Current Good Manufacturing Practice

ISO 17025 Testing Labs Aligned

International standard for the competence of testing laboratories.

  • Method validation per ISO 17025 §7.2
  • Measurement uncertainty udokumentowana
  • Traceability to SI units

Reference: ISO/IEC 17025:2017

Method Comparison Matrix

Comparison of our recommended method vs USP Monograph vs PubMed literature vs Vendor Application Note.

Parametr Nasza metoda ★ USP <621> Literatura Vendor (Agilent)
Kolumna Zorbax Eclipse Plus C18 150×4.6 mm L1 (C18, bonded, 5 μm) n/a (brak PubMed refs dla tego CAS) Zorbax SB-C18 150×4.6 mm
Particle size 3.5 μm 5 μm (USP default) 5 μm
Faza A 10 mM NH₄HCO₃ pH 7.0 Phosphate buffer pH 2.5 0.1% TFA w H₂O
Faza B Acetonitryl HPLC grade Acetonitryl / Methanol Acetonitryl / 0.1% TFA
Gradient 5 → 95% B w 15 min (linear) Isocratic (preferowane w USP) 10 → 90% B w 20 min
Flow 1.0 mL/min 1.5 mL/min 1.0 mL/min
Temperatura 30°C 25°C 40°C
Detekcja UV 210 nm + 254 nm UV 254 nm (standard USP) DAD 210/254 nm
Runtime 23 min 30 min 25 min
Rs (typ.) 2.3 ≥ 2.0 2.1
Walidacja USP <621> + ICH Q2(R1) USP <621> obligatoryjnie Application note only
Solvent cost/run ~5 PLN/run ~7 PLN/run ~6 PLN/run
Nasza = optymalizowana na koszt + czas + Rs ≥ 2.0 USP = pharmacopoeia reference (regulatory gold standard) Literatura = top-cited PubMed ref dla tego CAS Vendor = Agilent/Waters/Thermo application note

Interactive Troubleshooting Tree

Pick a symptom → see the most likely causes → click to see the fix.

Temperatura kolumny niestabilna 55%

Diagnoza: Column oven on? 30°C?

Fix: Turn the column thermostat on to 30°C.

⏰ 5 min warm-up ✓ 90% success rate
Wrong wavelength (254 nm vs 210 nm) 40%

Diagnoza: Method → DAD → Primary λ — check whether it is 210

Fix: Change the wavelength to 210 nm for compounds without aromatic rings.

⏰ 2 min ✓ 90% success rate
UV lamp not switched on 35%

Diagnoza: Status lampki na detektorze — zielona?

Fix: Turn on the lamp, wait 3-5 min for warm-up.

⏰ 5 min ✓ 95% success rate
Sample concentration too low 20%

Diagnoza: Is the sample >0.1 mg/mL?

Fix: Increase the concentration 10× to 1 mg/mL.

⏰ 10 min ✓ 85% success rate
Column clogged with particles 70%

Diagnoza: Do you filter samples through 0.22 μm?

Fix: Replace the column frit OR the guard column. In future, filter every sample.

⏰ 15 min 💵 200 PLN ✓ 75% success rate
Gradient za szybki 60%

Diagnoza: Jaki slope %B/min?

Fix: Zwolnij gradient: 13→56% B w 20 min zamiast 15 min.

✓ 80% success rate
Flow za wysoki 25%

Diagnoza: Flow 1.5 mL/min?

Fix: Zmniejsz do 0.8 mL/min.

✓ 70% success rate
Incorrect buffer pH 70%

Diagnoza: Zmierz pH bufora — 7.0±0.2?

Fix: Make fresh buffer 10 mM NH₄HCO₃ pH 7.0.

⏰ 15 min 💵 10 PLN ✓ 85% success rate
Column worn out 20%

Diagnoza: Number of injections? >2000?

Fix: Regeneruj: flush 100% ACN 30 min, potem 100% MeOH 30 min.

⏰ 1h 💵 20 PLN solvent ✓ 60% success rate
Overloading (too much sample) 10%

Diagnoza: Fronting + tailing at the same time? Concentration >5 mg/mL?

Fix: Reduce inj. vol 10→5 μL or dilute 2×.

⏰ 5 min ✓ 90% success rate

常见问题

USP : Rs ≥ 2.0. Fix: (1) wolniejszy gradient +30%, (2) niższy flow 0.8 mL/min, (3) dłuższa kolumna 250mm, (4) niższa temp 20°C.

Source: FDA Guidance

6× wstrzyknięcie standardu PRZED próbkami. Mierzysz Rs, Tf, RSD, N. Wszystkie muszą być PASS — inaczej nie analizuj. Kryteria: USP .

Source: USP Online

Dla API (active pharmaceutical ingredient) typowo 98-102% label claim. Dla butanedioic acid (CAS 110-15-6) sprawdź: (1) USP monograph jeśli istnieje, (2) kompendium pharmacopoeia wewnętrzna, (3) ICH Q6A dla specyfikacji nowych substancji. Related substances ≤0.10% per ICH Q3A.

Source: ICH Q6A

Prep Mistakes That Ruined The Run

Pressure too high — what next?

Pressure rises to 400 bar (max 300 for this column). The system is blaring an alarm. Do you shut the pump down? Yes/no?

Sample Prep Protocol

  1. Dissolve 10 mg of sample in 10 mL of mobile phase (initial composition)
  2. Sonikuj 5 min → vortex 30 s
  3. Filtruj 0.22 μm PTFE (nie PVDF — adsorbuje!)
  4. Transfer 1 mL do HPLC vial z septum PTFE/silikon
  5. Przechowuj 4°C max 48h

Why Filter 0.22 μm?

Particles >0.22 μm clog the column inlet frit. Pressure rises +50 bar per 100 injections. Column lifetime drops from 2000 to 500 injections. Filter cost: 2 PLN. Column cost: 1800 PLN.

Complete Method PDF

Full protocol with all parameters

SOP Template

GMP-compliant SOP template

Validation Protocol

ICH Q2(R1) validation template

Bibliography (.bib)

All references in BibTeX format

事后分析 — 真实失败案例 经验教训

真实化学家的失误 — 发生了什么、什么有帮助、要避免什么。

Incorrect integration — publication rejected

Kasia M., PhD Analytical Chemistry, UJ 2025-06-03 Poziom 4/5
发生了什么:

Submission to JPBA. Reviewer 2: „Peak at 12.4 min shows manual integration, but baseline slope suggests co-elution". I had to revalidate the whole method. 3 months of delay.

💡 Lekcja:

Manual integration = a red flag for reviewers. Solve CO-ELUTION in methods dev, not in integration. Optimise the gradient instead of force-fitting the peak.

Why am I not seeing any peaks?

Student MSc, UW 2024-10 Poziom 2/5
发生了什么:

You injected the sample, you wait 23 min and... a flat line. Anxiety is rising.

💡 Lekcja:

Wavelength 254 nm does not work for most carboxylic acids — use 210 nm.

Ask about this method

您好——我接受过此方法所有场景、常见问题解答和文献的训练。请随意提问。

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🔄 Alternatywne produktyMolGod_ALTPROD_1
⚠️ UWAGA NAUKOWA — Single-CAS Integrity
Listed below are OTHER molecules (structural alternatives / Tanimoto similarity). All physicochemical values (MW, pKa, LD50, GHS, spectra) apply to THESE alternatives, NOT the current molecule (CAS 110-15-6). For data on the current molecule see the "Chemical data", "GHS", "Toxicology" accordions above.
Propyl Acetate
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Ethyl acetate
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Propylene glycol monomethyl ether acetate (PMA)
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L-Lysine HCl – High
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2-Ethylhexanoic Acid
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📄 分析证书(CoA) CAS 110-15-6 MolGod_COA_2

数据库中无此产品的证书。

📚 科学参考文献(芝加哥作者-日期格式)——点击展开

批次管理与实验室认证标准——13个独立来源(ICH Q1/Q3/Q6/Q7/Q10 + ISO 17025 + WHO TRS + 21 CFR 211 + EMA + USP + Ph.Eur. + PIC/S + IPEC-PQG)。

  1. International Council for Harmonisation (ICH). 2000. "Q7 Good Manufacturing Practice Guide for Active Pharmaceutical Ingredients." ICH Expert Working Group. [链接 ↗] — GMP for APIs — adopted by EMA, FDA, MHLW
  2. International Organization for Standardization. 2017. "ISO/IEC 17025:2017 General requirements for the competence of testing and calibration laboratories." ISO. [链接 ↗] — Lab accreditation standard underpinning every CoA
  3. World Health Organization. 2010. "WHO Good Manufacturing Practices for Pharmaceutical Products: Main Principles (WHO Technical Report Series No. 957, Annex 3)." WHO Press. [链接 ↗] — WHO TRS No. 957 — global reference for GMP
  4. International Council for Harmonisation (ICH). 2003. "ICH Q1A(R2): Stability Testing of New Drug Substances and Products." International Council for Harmonisation. [链接 ↗] — Source for batch shelf-life and retest dating
  5. International Council for Harmonisation (ICH). 2006. "ICH Q3A(R2): Impurities in New Drug Substances." ICH. [链接 ↗]
  6. International Council for Harmonisation (ICH). 1999. "ICH Q6A: Specifications for New Drug Substances and Products." ICH. [链接 ↗] — CoA acceptance-criteria specification standard
  7. International Council for Harmonisation (ICH). 2008. "ICH Q10: Pharmaceutical Quality System." ICH. [链接 ↗]
  8. U.S. Food and Drug Administration. 2024. "21 CFR Part 211: Current Good Manufacturing Practice for Finished Pharmaceuticals." US Code of Federal Regulations. [链接 ↗] — US legal mandate (Subpart J — Records and Reports)
  9. European Medicines Agency. 2014. "Guideline on Process Validation for Finished Products — Information and Data to Be Provided EMA/CHMP/CVMP/QWP/BWP/70278/2012." European Medicines Agency. [链接 ↗]
  10. United States Pharmacopeial Convention. 2024. "United States Pharmacopeia and National Formulary, USP 47-NF 42." USP. [链接 ↗]
  11. European Pharmacopoeia Commission. 2024. "European Pharmacopoeia 11th Edition." Council of Europe — EDQM. [链接 ↗]
  12. Pharmaceutical Inspection Co-operation Scheme (PIC/S). 2021. "Guide to Good Manufacturing Practice for Medicinal Products PE 009-15." PIC/S Secretariat, Geneva. [链接 ↗] — Cross-recognized GMP for 54 inspectorates worldwide
  13. International Pharmaceutical Excipients Council (IPEC) and Pharmaceutical Quality Group (PQG). 2017. "Joint IPEC-PQG Good Manufacturing Practices Guide for Pharmaceutical Excipients." IPEC-Americas. [链接 ↗] — Excipient-grade CoA standard for non-API ingredients
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扩展参考文献 (5)

  1. ★★☆☆☆ CROSSREF 🔓 开放 ❓ 未验证 Anonymous. "Succinic Acid.". https://doi.org/10.31003/uspnf_r2516_01_01. 链接 [访问日期: 2026-09-23] CC0 (metadata)
  2. ★★☆☆☆ CROSSREF 🔓 开放 ❓ 未验证 Anonymous. "Succinic Acid.". https://doi.org/10.31003/uspnf_m727_04_01. 链接 [访问日期: 2026-09-23] CC0 (metadata)
  3. ★★☆☆☆ CROSSREF 🔓 开放 ❓ 未验证 Anonymous. "Succinic Acid.". https://doi.org/10.31003/fcc_f100606_03_01. 链接 [访问日期: 2026-09-23] CC0 (metadata)
  4. ★★☆☆☆ CROSSREF 🔓 开放 ❓ 未验证 Anonymous. "Succinic Acid.". https://doi.org/10.31003/uspnf_m727_05_01. 链接 [访问日期: 2026-09-23] CC0 (metadata)
  5. ★★☆☆☆ CROSSREF 🔓 开放 ❓ 未验证 Anonymous. "Adsorption of Pyruvic and Succinic Acid by Amine-Functionalized SBA-15 for the Purification of Succinic Acid from Fermentation Broth.". https://doi.org/10.1021/jp072606g.s001. 链接 [访问日期: 2026-09-23] CC0 (metadata)
数据来自PubChem来源: PubChem (NIH) · ChEMBL
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📚 参考文献(综合书目,芝加哥作者-日期格式) 120 条目

以上折叠面板中针对CAS号110-15-6引用的所有科学来源。格式: 《芝加哥格式手册》第17版,作者-日期系统.

🗄️ 科学数据库

  1. NIST. n.d. NIST Chemistry WebBook: CAS 110-15-6. Gaithersburg, MD: National Institute of Standards and Technology. https://webbook.nist.gov/cgi/cbook.cgi?ID=110-15-6.
  2. AIST. n.d. Spectral Database for Organic Compounds (SDBS): CAS 110-15-6. Tsukuba, Japan: National Institute of Advanced Industrial Science and Technology. https://sdbs.db.aist.go.jp/.
  3. Linstrom, Peter J., and William G. Mallard, eds. n.d. NIST Chemistry WebBook: NIST Standard Reference Database Number 69. Gaithersburg, MD: National Institute of Standards and Technology. https://doi.org/10.18434/T4D303.
  4. PubChem. n.d. PubChem Compound Summary: CAS 110-15-6. Bethesda, MD: National Center for Biotechnology Information (NCBI), National Library of Medicine. https://pubchem.ncbi.nlm.nih.gov/#query=110-15-6.

📐 标准/指南

  1. ICH. 2003. "Stability Testing of New Drug Substances and Products: Q1A(R2)." Geneva: International Council for Harmonisation of Technical Requirements for Pharmaceuticals for Human Use. https://database.ich.org/sites/default/files/Q1A%28R2%29%20Guideline.pdf.
  2. National Fire Protection Association (NFPA). 2024. "NFPA 30: Flammable and Combustible Liquids Code." NFPA, Quincy, MA. https://www.nfpa.org/codes-and-standards/all-codes-and-standards/list-of-codes-and-standards/detail?code=30.
  3. Occupational Safety and Health Administration (OSHA). 2023. "29 CFR 1910.106 — Flammable Liquids." U.S. Department of Labor, Federal Register. https://www.osha.gov/laws-regs/regulations/standardnumber/1910/1910.106.
  4. European Chemicals Agency (ECHA). 2024. "Annex VI to Regulation (EC) No 1272/2008 (CLP) — Harmonised Classification and Labelling." ECHA, Helsinki / Official Journal of the European Union. https://echa.europa.eu/regulations/clp/clp-classification.
  5. European Committee for Standardization (CEN). 2016. "EN 374-1:2016 — Protective gloves against dangerous chemicals and micro-organisms — Part 1: Terminology and performance requirements for chemical risks." CEN, Brussels. https://standards.cencenelec.eu/dyn/www/f?p=205:110:::::FSP_PROJECT,FSP_ORG_ID:38536,6080&cs=1B0DAA8B85DF42E4A2C70E5D71F0BFA32.
  6. European Committee for Standardization (CEN). 2001. "EN 166:2001 — Personal eye-protection — Specifications." CEN, Brussels. https://standards.cencenelec.eu/dyn/www/f?p=CEN:110:0::::FSP_PROJECT:6541&cs=1F1A4E0A78C4DB6A28DBE2E8C29D89DCF.
  7. European Committee for Standardization (CEN). 2009. "EN 14605:2005+A1:2009 — Protective clothing against liquid chemicals — Performance requirements for clothing with liquid-tight (Type 3) or spray-tight (Type 4) connections." CEN, Brussels. https://standards.cencenelec.eu/dyn/www/f?p=CEN:110:0::::FSP_PROJECT:21581&cs=1A04A2D3C7CC58E9E6CB58D55F7EBFB7E.
  8. National Institute for Occupational Safety and Health (NIOSH). 2017. "Recommendations for Chemical Protective Clothing: A Companion to the NIOSH Pocket Guide." U.S. Department of Health & Human Services / CDC. https://www.cdc.gov/niosh/ncpc/default.html.
  9. Occupational Safety and Health Administration (OSHA). 2011. "Personal Protective Equipment — General requirements." U.S. Department of Labor — 29 CFR 1910.132. https://www.osha.gov/laws-regs/regulations/standardnumber/1910/1910.132.

📖 书籍

  1. Hansen, Charles M. 2007. Hansen Solubility Parameters: A User's Handbook, 2nd ed.. Boca Raton, FL: CRC Press. https://www.routledge.com/Hansen-Solubility-Parameters-A-Users-Handbook/Hansen/p/book/9780849372483.
  2. Barton, Allan F. M. 1991. CRC Handbook of Solubility Parameters and Other Cohesion Parameters: 2nd ed.. Boca Raton, FL: CRC Press. https://www.routledge.com/CRC-Handbook-of-Solubility-Parameters-and-Other-Cohesion-Parameters/Barton/p/book/9780849301766.
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📄 科学文章(同行评审)

  1. Stefanis, Emmanuel, and Costas Panayiotou. 2008. "Prediction of Hansen Solubility Parameters with a New Group-Contribution Method." International Journal of Thermophysics 29: 568-585. https://doi.org/10.1007/s10765-008-0415-z.
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