Polyvinyl Alcohol (PVA)

PVA, Polyvinyl Alcohol, PVOH

CAS 9002-89-5 EC 232-655-4 (C₂H₄O)n (repeating unit) Alcohol SDS published

Specification

Product Name	Polyvinyl Alcohol (PVA)
Other Names	PVA, Polyvinyl Alcohol, PVOH
CAS No.	9002-89-5
EINECS No.	232-655-4
MF	(C₂H₄O)n (repeating unit)
Molecular weight	Variable (depends on degree of polymerization, typically 10,000–100,000)
Purity	98.0% min
Appearance	White granular powder / flake
Density	1.19–1.31 g/cm³ (25°C)
Melting point	Decomposes at ~200°C (no distinct melting point)
Boiling point	Decomposes before boiling
Flashing point	>200°C (non-flammable)

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

Packaging and shipping

Drum25 kg/200kg

IBC Drum1000kg

ISO tank (20ft)Not applicable

ISO tank (40ft)Not applicable

Polyvinyl Alcohol (PVA) is a water-soluble synthetic polymer with excellent film-forming, adhesive, and emulsifying properties. It is non-toxic, biodegradable, and resistant to oil, grease, and solvents, making it a highly versatile material across industrial, textile, paper, and packaging sectors.

Widely used in textile sizing, PVA enhances yarn strength and reduces breakage during weaving, while in paper manufacturing it improves surface smoothness, printability, and water resistance. In the adhesive industry, it serves as a key raw material for water-based glues, wood adhesives, and packaging adhesives, offering strong bonding strength and environmental safety. Additionally, PVA is applied in the production of water-soluble films, cosmetic thickeners, and pharmaceutical excipients, demonstrating its broad adaptability to diverse application scenarios.
Our company provides a full range of PVA grades with different polymerization degrees and alcoholysis levels, tailored to meet specific performance requirements. With stable supply, complete quality certifications, and technical support, we deliver reliable solutions for global industrial customers.

Polyvinyl Alcohol (PVA) Multi-functional Solution | Covers multiple industries such as adhesives, textiles, and paper | Customizable parameters, supply chain guarantee

Product Description

Polyvinyl Alcohol (PVA) is a water-soluble synthetic polymer renowned for its excellent film-forming, adhesive, and emulsifying properties.

Non-toxic, biodegradable, and resistant to oils and solvents, it serves as a versatile raw material across industries such as textiles, paper, adhesives, and packaging.

With varying degrees of polymerization and alcoholysis, our PVA grades are tailored to meet precise performance demands, ensuring stable quality and reliable supply for global customers.

In the textile industry, PVA is widely used as a sizing agent to enhance yarn strength and reduce weaving breakage, while in paper manufacturing it improves surface smoothness, printability, and water resistance.

As a key adhesive ingredient, it forms the basis of water-based glues, wood adhesives, and packaging adhesives, offering strong bonding and environmental safety.

It also plays a vital role in producing water-soluble films, cosmetic thickeners, and pharmaceutical excipients.

For usage, in textile sizing, PVA is dissolved in water at 5–15% concentration; in adhesives, it is typically incorporated at 10–30% to achieve desired viscosity; and in paper coating, 2–8% addition ensures optimal surface performance.

Polyvinyl Alcohol (PVA) Multi-functional Solution | Covers multiple industries such as adhesives, textiles, and paper | Customizable parameters, supply chain guarantee

Delivery&Payment method

Polyvinyl Alcohol (PVA) Multi-functional Solution | Covers multiple industries such as adhesives, textiles, and paper | Customizable parameters, supply chain guarantee

Frequently asked

In what packaging is Polyvinyl Alcohol (PVA) shipped?

Standard formats are Drum (25 kg/200kg), IBC Drum (1000kg), ISO tank (20ft) (Not applicable), ISO tank (40ft) (Not applicable). Other packaging can be arranged for full-container orders.

Is a safety data sheet available for Polyvinyl Alcohol (PVA)?

Yes. A full safety data sheet for CAS 9002-89-5 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 98.0% min. Tighter specifications are confirmed against the production batch before shipment.

Technical reading on Polyvinyl Alcohol (PVA)

Polyvinyl alcohol: hydrolysis, viscosity and dissolving

PVA grades are chosen on two axes, not one. What degree of hydrolysis and viscosity each control, and…

Article

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🧬 3D分子可视化器

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 9002-89-5MolGod_PROPHUB_MAIN

我们的数据库中无CAS 9002-89-5的数据。

检查外部来源：

化学概述: Polyvinyl alcoholMolGod_OVERVIEW_1

IUPAC名称

Ethenol, homopolymer

数据来源： PubChem (NLM/NIH)
最后更新： 2026-09-17

科学研究

[1]PubMed2026

Dynamic matrix remodeling in boronate ester hydrogels for 3D organoid cultures.

Neumann M, Kožinec D, Hène D et al.. (2026). "Dynamic matrix remodeling in boronate ester hydrogels for 3D organoid cultures.". Journal of controlled release : official journal of the Controlled Relea

[2]PubMed2026

Electrically conductive and mechanoactive scaffolds synergistically enhance osteogenic cell responses under mechanical stimulation.

Tavernaraki NN, Platania V, Alpantaki K et al.. (2026). "Electrically conductive and mechanoactive scaffolds synergistically enhance osteogenic cell responses under mechanical stimulation.". Biomateri

[3]PubMed2026

Water-soluble swab material for environmental sampling.

Crown KK, Lambert TN, Kelly M et al.. (2026). "Water-soluble swab material for environmental sampling.". Applied and environmental microbiology. https://doi.org/10.1128/aem.00030-26

[4]PubMed2026

ROS-responsive bilayer microneedles loaded with methotrexate and cerium oxide nanoparticles for synergistic treatment of psoriasis.

Qin S, Qin G, Wan Y et al.. (2026). "ROS-responsive bilayer microneedles loaded with methotrexate and cerium oxide nanoparticles for synergistic treatment of psoriasis.". International journal of phar

[5]PubMed2026

Implantable living materials autonomously deliver therapeutics using contained engineered bacteria.

Harimoto T, Herrero Quevedo F, Zillig J et al.. (2026). "Implantable living materials autonomously deliver therapeutics using contained engineered bacteria.". Science (New York, N.Y.). https://doi.org

[6]PubMed2026

Polyvinyl alcohol/pectin hydrogels incorporating marine elastin hydrolysates for enhanced wound healing and extracellular matrix remodeling.

Moon SH, Kim SC, Kim NG et al.. (2026). "Polyvinyl alcohol/pectin hydrogels incorporating marine elastin hydrolysates for enhanced wound healing and extracellular matrix remodeling.". International jo

[7]PubMed2026

Adhesive Microneedle-Nanosheets With Temporally Orchestrated Antimicrobial, Immunomodulatory, and Osteogenic Functions for Periodontal Regeneration.

Zhang X, Zhong Z, Zhan P et al.. (2026). "Adhesive Microneedle-Nanosheets With Temporally Orchestrated Antimicrobial, Immunomodulatory, and Osteogenic Functions for Periodontal Regeneration.". Advance

[8]PubMed2026

Adaptive hydrogel platform for nitric oxide release and post-infarction cardiac microenvironment modulation.

Wu Y, Zhang W, Huang L et al.. (2026). "Adaptive hydrogel platform for nitric oxide release and post-infarction cardiac microenvironment modulation.". Biomaterials. https://doi.org/10.1016/j.biomateri

📚 科学参考文献（芝加哥作者-日期格式） 20 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 (4) · db:doaj (1)

db:pubmed Neumann M, Kožinec D, Hène D et al.. (2026). "Dynamic matrix remodeling in boronate ester hydrogels for 3D organoid cultures.". Journal of controlled release : official journal of the Controlled Release Society. https://doi.org/10.1016/j.jconrel.2026.114851 →
db:pubmed Tavernaraki NN, Platania V, Alpantaki K et al.. (2026). "Electrically conductive and mechanoactive scaffolds synergistically enhance osteogenic cell responses under mechanical stimulation.". Biomaterials science. https://doi.org/10.1039/d5bm01064k →
db:pubmed Crown KK, Lambert TN, Kelly M et al.. (2026). "Water-soluble swab material for environmental sampling.". Applied and environmental microbiology. https://doi.org/10.1128/aem.00030-26 →
db:pubmed Qin S, Qin G, Wan Y et al.. (2026). "ROS-responsive bilayer microneedles loaded with methotrexate and cerium oxide nanoparticles for synergistic treatment of psoriasis.". International journal of pharmaceutics. https://doi.org/10.1016/j.ijpharm.2025.126520 →
db:pubmed Harimoto T, Herrero Quevedo F, Zillig J et al.. (2026). "Implantable living materials autonomously deliver therapeutics using contained engineered bacteria.". Science (New York, N.Y.). https://doi.org/10.1126/science.aec2071 →
db:pubmed Moon SH, Kim SC, Kim NG et al.. (2026). "Polyvinyl alcohol/pectin hydrogels incorporating marine elastin hydrolysates for enhanced wound healing and extracellular matrix remodeling.". International journal of biological macromolecules. https://doi.org/10.1016/j.ijbiomac.2026.151011 →
db:pubmed Zhang X, Zhong Z, Zhan P et al.. (2026). "Adhesive Microneedle-Nanosheets With Temporally Orchestrated Antimicrobial, Immunomodulatory, and Osteogenic Functions for Periodontal Regeneration.". Advanced materials (Deerfield Beach, Fla.). https://doi.org/10.1002/adma.72919 →
db:pubmed Wu Y, Zhang W, Huang L et al.. (2026). "Adaptive hydrogel platform for nitric oxide release and post-infarction cardiac microenvironment modulation.". Biomaterials. https://doi.org/10.1016/j.biomaterials.2026.123980 →
db:pubmed Yang B, Cheng Q, Zhao S et al.. (2026). "Multifunctional antibacterial intelligent hydrogel for infection detection and inflammation regulation to promote diabetic wound healing.". Biomaterials. https://doi.org/10.1016/j.biomaterials.2026.124326 →
db:pubmed Yang R, Sun J, Peng G et al.. (2026). "Synergistic promotion of diabetic wound healing by glucose-responsive functional chitosan-based composite nanohydrogels.". Carbohydrate polymers. https://doi.org/10.1016/j.carbpol.2025.124835 →
db:pubmed Khan MF, Zhang L, Qiang D et al.. (2026). "A self-healing, pH/glucose-responsive carboxymethyl chitosan and oxidized bacterial nanocellulose hydrogel for insulin and taurine delivery in diabetic wound healing.". Carbohydrate polymers. https://doi.org/10.1016/j.carbpol.2026.125133 →
db:crossref (2026). "GLP-1-Rezeptoragonisten: Kausale Reduktion des Risikos für Myokardinfarkte?". Diabetologie und Stoffwechsel. https://doi.org/10.1055/a-2754-5783 →
db:pubmed Yavari A, Ito T, Yamazoe E et al.. (2025). "PVA nanofibers: electrospinning techniques and pharmaceutical applications.". Therapeutic delivery. https://doi.org/10.1080/20415990.2025.2582465 →
db:pubmed Peng Y, Du W, Cui Y et al.. (2025). "PtPdNi Trimetallic-Doped MIL-88 Hydrogel Accelerates Healing of Bacterial-Infected Diabetic Wounds.". International journal of nanomedicine. https://doi.org/10.2147/IJN.S540126 →
db:pubmed Nobre D, Ekoh E, Silva DC et al.. (2025). "Antimicrobial casein/poly(vinyl alcohol) electrospun nanofibers-based dressings.". International journal of pharmaceutics. https://doi.org/10.1016/j.ijpharm.2025.126320 →
db:pubmed Ma F, Guo C, Liu Y et al.. (2025). "Enhanced Elastic Multifunctional Dual-Network Hydrogel Microspheres for the Treatment of Intervertebral Disc Degeneration through Inflammation Modulation and Apoptosis Inhibition.". ACS applied materials & interfaces. https://doi.org/10.1021/acsami.5c17783 →
db:doaj Orkun Dalyan, Mehmet Pişkin, Ömer Faruk Öztürk. (2021). "Toxicity of polyvinyl alcohols in medicinal chemistry". MANAS: Journal of Engineering. https://doi.org/10.51354/mjen.918635 →
db:crossref Fabio Galera Moreira. (2020). "No fim da filosofia, poesia e pensamento". Ítaca. https://doi.org/10.59488/itaca.v0i34.26715 →
db:crossref Humberto Araújo Quaglio de Souza. (2016). "Migalhas Filosóficas: Um Espelho Dialético". Ítaca. https://doi.org/10.59488/itaca.v0i30.10083 →
db:crossref Jasson Da Silva Martins. (2012). "A estética da expressividade em Nietzsche". Ítaca. https://doi.org/10.59488/itaca.v0i18.188 →

物质监管状态

在已检查的限制清单（SVHC候选清单、REACH附件XVII；数据集不完整——这不构成合规确认）中未找到该CAS号的条目。CLP分类和运输状态（ADR）：请参见GHS章节及安全数据表（SDS）。

🧪 化学数据MolGod_CHEMDATA_1

CAS号: 9002-89-5
IUPAC名称 (EN): Ethenol, homopolymer

📚 Literatura naukowa (1 产品)MolGod_LITSCI_1

🔓

Toxicity of polyvinyl alcohols in medicinal chemistry

Orkun Dalyan, Mehmet Pişkin, Ömer Faruk Öztürk · (2021) · MANAS: Journal of Engineering

DOI ↗PDF ↗

筛选：

排序：

📡 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.

🔍 外部标识符MolGod_EXTID_1

7 / 16个ID系统44%

数据库	标识符	操作
CAS Registry Number	9002-89-5	打开 →
DrugBank	DB11060	打开 →
KEGG Compound	C00980	打开 →
MeSH UID (NLM)	D011142	打开 →
UNII (FDA)	532B59J990	打开 →
NSC Number (NCI)	108129	打开 →
WikiData QID	Q146339	打开 →

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

📡 光谱学 — CAS 9002-89-5MolGod_SPECHUB_MAIN

📊 光谱数据库 — 内联数据 8 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

— 点

📚 NIST Chemistry WebBook, SRD 69

MS (NIST) Mass Spectrum (EI) — NIST WebBook

Public domain (US Federal)

▶ 点击加载光谱

🔗 来源

— 点

📚 NIST Standard Reference Database 1A

UV-Vis UV/Visible Absorption — NIST WebBook

Public domain (US Federal)

▶ 点击加载光谱

🔗 来源

— 点

📚 NIST Chemistry WebBook, SRD 69

MS (MoNA) MoNA — MassBank of North America

CC-BY 4.0

▶ 点击加载光谱

🔗 来源

— 点

📚 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。

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 9002-89-5?

9002-89-5 (CAS 9002-89-5) 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 9002-89-5?

The CAS number for 9002-89-5 is 9002-89-5. A CAS Registry Number is the standard identifier for a chemical substance in scientific literature and in trade.

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How should 9002-89-5 be stored?

9002-89-5 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。

📄 .SDF 📄 .MOL 📈 3D JSON

来源：PubChem，美国国家医学图书馆（NIH）。

🔄 浓度单位转换器实时 MolGod_UNITCONV_1

输入Polyvinyl alcohol浓度（任意单位），其余将自动计算。

分子量： — 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) ↔ molarity	c (mol/L) = (% × 10) / MW	±0.5% rel. when density ≈ 1.0 g/mL	IUPAC (2019)
millimolar ↔ molar	c (mol/L) = mM × 10⁻³	Exact	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)
molarity (mol/L)	c = n/V = (m/MW)/V	±0.1% (depends on MW precision)	IUPAC (2019)
parts per million (mg/L) ↔ molarity	c (mol/L) = ppm / (1000 × MW); equivalently ppm = mg/L for dilute aqueous	±1% (density-independent for dilute solutions)	IUPAC (2019)
mg/mL ↔ molarity	c (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 ↔ molarity	c (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 ↔ molarity	c (mol/L) = mmol/L × 10⁻³	Exact	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)
Celsius ↔ Kelvin	T(K) = t(°C) + 273.15	±0.01 K (ITS-90 scale)	BIPM (Bureau International des Poids et Mesures) (2019)
Celsius ↔ Fahrenheit	T(°F) = T(°C) × 9/5 + 32	±0.1 °F	Thompson A, Taylor BN (2008)
density-corrected % ↔ molarity	c (mol/L) = (%w/w × ρ × 10) / MW, ρ in g/mL	±0.1% when ρ known to 3 decimals	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)

📚 参考文献（8个权威来源）

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
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
BIPM (Bureau International des Poids et Mesures) (2019). The International System of Units (SI), 9th edition. BIPM · ↗
→ International SI definitions (incl. redefined kilogram 2019)
ISO/IEC (2022). Quantities and units — Part 1: General. International Organization for Standardization — ISO 80000-1:2022 · ↗
→ General rules for physical quantities and units
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
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)
IUPAC (2019). Compendium of Chemical Terminology — the IUPAC Gold Book (online). IUPAC · DOI: 10.1351/goldbook
→ Definitions of mass fraction, molality, normality, ppm, activity
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

🧪 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 ↗

🛡️ 安全 — CAS 9002-89-5MolGod_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。

该物质无统一的GHS分类——请参阅供应商当前的安全数据表（SDS）。

☢️ 毒理学数据 (IARC + EPA CTX)

🧬 IARC致癌物分类

IARC分类：

组 3

分类来自本地MOL-GOD快照——未对照当前IARC列表验证 (验证).

📚 来源： IARC Monographs (WHO)
最后验证：未确认

📚 来源 · 参考文献（芝加哥注释-书目格式）

Neumann M, Kožinec D, Hène D et al.. (2026). "Dynamic matrix remodeling in boronate ester hydrogels for 3D organoid cultures.". Journal of controlled release : official journal of the Controlled Release Society. https://doi.org/10.1016/j.jconrel.2026.114851 [DOI]
Tavernaraki NN, Platania V, Alpantaki K et al.. (2026). "Electrically conductive and mechanoactive scaffolds synergistically enhance osteogenic cell responses under mechanical stimulation.". Biomaterials science. https://doi.org/10.1039/d5bm01064k [DOI]
Crown KK, Lambert TN, Kelly M et al.. (2026). "Water-soluble swab material for environmental sampling.". Applied and environmental microbiology. https://doi.org/10.1128/aem.00030-26 [DOI]
Qin S, Qin G, Wan Y et al.. (2026). "ROS-responsive bilayer microneedles loaded with methotrexate and cerium oxide nanoparticles for synergistic treatment of psoriasis.". International journal of pharmaceutics. https://doi.org/10.1016/j.ijpharm.2025.126520 [DOI]
Harimoto T, Herrero Quevedo F, Zillig J et al.. (2026). "Implantable living materials autonomously deliver therapeutics using contained engineered bacteria.". Science (New York, N.Y.). https://doi.org/10.1126/science.aec2071 [DOI]
Moon SH, Kim SC, Kim NG et al.. (2026). "Polyvinyl alcohol/pectin hydrogels incorporating marine elastin hydrolysates for enhanced wound healing and extracellular matrix remodeling.". International journal of biological macromolecules. https://doi.org/10.1016/j.ijbiomac.2026.151011 [DOI]
Zhang X, Zhong Z, Zhan P et al.. (2026). "Adhesive Microneedle-Nanosheets With Temporally Orchestrated Antimicrobial, Immunomodulatory, and Osteogenic Functions for Periodontal Regeneration.". Advanced materials (Deerfield Beach, Fla.). https://doi.org/10.1002/adma.72919 [DOI]
Wu Y, Zhang W, Huang L et al.. (2026). "Adaptive hydrogel platform for nitric oxide release and post-infarction cardiac microenvironment modulation.". Biomaterials. https://doi.org/10.1016/j.biomaterials.2026.123980 [DOI]
Yang B, Cheng Q, Zhao S et al.. (2026). "Multifunctional antibacterial intelligent hydrogel for infection detection and inflammation regulation to promote diabetic wound healing.". Biomaterials. https://doi.org/10.1016/j.biomaterials.2026.124326 [DOI]
Yang R, Sun J, Peng G et al.. (2026). "Synergistic promotion of diabetic wound healing by glucose-responsive functional chitosan-based composite nanohydrogels.". Carbohydrate polymers. https://doi.org/10.1016/j.carbpol.2025.124835 [DOI]
Khan MF, Zhang L, Qiang D et al.. (2026). "A self-healing, pH/glucose-responsive carboxymethyl chitosan and oxidized bacterial nanocellulose hydrogel for insulin and taurine delivery in diabetic wound healing.". Carbohydrate polymers. https://doi.org/10.1016/j.carbpol.2026.125133 [DOI]
(2026). "GLP-1-Rezeptoragonisten: Kausale Reduktion des Risikos für Myokardinfarkte?". Diabetologie und Stoffwechsel. https://doi.org/10.1055/a-2754-5783 [DOI]
Yavari A, Ito T, Yamazoe E et al.. (2025). "PVA nanofibers: electrospinning techniques and pharmaceutical applications.". Therapeutic delivery. https://doi.org/10.1080/20415990.2025.2582465 [DOI]
Peng Y, Du W, Cui Y et al.. (2025). "PtPdNi Trimetallic-Doped MIL-88 Hydrogel Accelerates Healing of Bacterial-Infected Diabetic Wounds.". International journal of nanomedicine. https://doi.org/10.2147/IJN.S540126 [DOI]
Nobre D, Ekoh E, Silva DC et al.. (2025). "Antimicrobial casein/poly(vinyl alcohol) electrospun nanofibers-based dressings.". International journal of pharmaceutics. https://doi.org/10.1016/j.ijpharm.2025.126320 [DOI]

📚 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： 9002-89-5 · PubChem ↗

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
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
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
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
European Committee for Standardization (CEN). 2016. "EN 374-1:2016 — Protective gloves against dangerous chemicals and micro-organisms." CEN, Brussels. [↗] PPE
UNECE. 2023. "European Agreement Concerning the International Carriage of Dangerous Goods by Road (ADR 2025)." United Nations, Geneva. [↗] Utylizacja, Regulacje
National Fire Protection Association (NFPA). 2022. "NFPA 400 — Hazardous Materials Code." NFPA, Quincy, MA. [↗] Magazynowanie
Urben, P.G. (ed.). 2017. "Bretherick's Handbook of Reactive Chemical Hazards, 8th ed.." Butterworth-Heinemann / Elsevier, Oxford. [↗] Magazynowanie
Ministerstwo Klimatu i Środowiska RP. 2023. "Baza danych o produktach i opakowaniach oraz o gospodarce odpadami (BDO)." Ministerstwo Klimatu i Środowiska, Warszawa. [↗] Utylizacja
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）。

测量结果：

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）

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🧪 溶解性和溶剂兼容性 MolGod_SOLUB_1

分子

Polyvinyl alcohol

logP (XLogP3)

—

极性

—

⚠️ 基于logP的估算（启发式）。数据库中无HSP值——精度有限。请通过实验验证。

Solvent compatibility table not available for this substance.
The Hansen parameters fall outside the range of the method, so the distance Ra cannot be calculated, and the database holds no solubility measurement to put in its place. Rather than eleven ratings with nothing behind them, we show none. Base the solvent choice on the safety data sheet and on experimental data.

来源： PubChem (NIH) · Hansen Solubility Database

📚 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)

NIST — NIST Chemistry WebBook — Water (CAS 7732-18-5)
CRC — CRC Handbook of Chemistry and Physics, 104th ed., Sec. 8 (Properties of Water)
IAPWS — IAPWS Release on Static Dielectric Constant of Water
Reichardt 2011 — Solvents and Solvent Effects in Organic Chemistry
GESTIS — GESTIS Substance Database — Water

Ethanol (EtOH)

NIST — NIST Chemistry WebBook — Ethanol (CAS 64-17-5)
CRC — CRC Handbook — Ethanol physical constants
Snyder & Kirkland — Modern Liquid Chromatography — Ethanol eluotropic
Smallwood — Handbook of Organic Solvent Properties — Ethanol
GESTIS — GESTIS Substance Database — Ethanol

Methanol (MeOH)

NIST — NIST Chemistry WebBook — Methanol (CAS 67-56-1)
CRC — CRC Handbook — Methanol physical constants
Snyder & Kirkland — Modern Liquid Chromatography — MeOH eluotropic, eo=0.95
GESTIS — GESTIS Substance Database — Methanol

Acetone

NIST — NIST Chemistry WebBook — Acetone (CAS 67-64-1)
CRC — CRC Handbook — Acetone physical & thermodynamic constants
Hansen 2007 — Hansen Solubility Parameters — Acetone (dD=15.5, dP=10.4, dH=7.0)
Smallwood — Handbook of Organic Solvent Properties — Acetone
GESTIS — GESTIS Substance Database — Acetone

Acetonitrile (ACN)

NIST — NIST Chemistry WebBook — Acetonitrile (CAS 75-05-8)
CRC — CRC Handbook — Acetonitrile constants
Snyder & Kirkland — Modern Liquid Chromatography — ACN gold-standard HPLC eluent
Reichardt 2011 — Solvents and Solvent Effects — ACN dipolar aprotic
GESTIS — GESTIS Substance Database — Acetonitrile

DMSO

NIST — NIST Chemistry WebBook — DMSO (CAS 67-68-5)
Wypych 2019 — Handbook of Solvents Vol. 1 — DMSO comprehensive properties
Hansen 2007 — HSP — DMSO (dD=18.4, dP=16.4, dH=10.2)
Reichardt 2011 — Solvents and Solvent Effects — DMSO E_T(30)=45.1, dipolar aprotic
GESTIS — GESTIS Substance Database — DMSO

THF

NIST — NIST Chemistry WebBook — THF (CAS 109-99-9)
Armarego 2009 — Purification of Laboratory Chemicals — THF drying & peroxide test
Hansen 2007 — Hansen Solubility Parameters — THF (dD=16.8, dP=5.7, dH=8.0)
Smallwood — Handbook of Organic Solvent Properties — THF
GESTIS — GESTIS Substance Database — Tetrahydrofuran

DCM (CH₂Cl₂)

NIST — NIST Chemistry WebBook — Dichloromethane (CAS 75-09-2)
IARC 71 — IARC Monograph 71 — DCM (Group 2A carcinogen)
Hansen 2007 — Hansen Solubility Parameters — DCM (dD=18.2, dP=6.3, dH=6.1)
Reichardt 2011 — Solvents and Solvent Effects — DCM polarity index
GESTIS — GESTIS Substance Database — Dichloromethane

Chloroform (CHCl₃)

NIST — NIST Chemistry WebBook — Chloroform (CAS 67-66-3)
IARC 73 — IARC Monograph 73 — Chloroform (Group 2B carcinogen)
Hansen 2007 — Hansen Solubility Parameters — CHCl3 (dD=17.8, dP=3.1, dH=5.7)
Reichardt 2011 — Solvents and Solvent Effects — CHCl3 H-bond donor strength
GESTIS — GESTIS Substance Database — Chloroform

n-Hexane

NIST — NIST Chemistry WebBook — n-Hexane (CAS 110-54-3)
ATSDR n-Hexane — ATSDR Toxicological Profile for n-Hexane — neuropatia obwodowa (n-Heksan NIE jest kancerogenem IARC)
Hansen 2007 — Hansen Solubility Parameters — n-Hexane (dD=14.9, dP=0, dH=0)
Snyder & Kirkland — Modern Liquid Chromatography — n-Hexane NP standard, eo=0.00
GESTIS — GESTIS Substance Database — n-Hexane

Toluene

NIST — NIST Chemistry WebBook — Toluene (CAS 108-88-3)
IARC 71 — IARC Monograph 71 — Toluene
Hansen 2007 — Hansen Solubility Parameters — Toluene (dD=18.0, dP=1.4, dH=2.0)
Smallwood — Handbook of Organic Solvent Properties — Toluene
GESTIS — GESTIS Substance Database — Toluene

溶解性理论（应用于相容性预测）：

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).
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。
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
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.
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.
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.
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）。
PubChem Compound Database — CAS 9002-89-5 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

检查Polyvinyl alcohol是否与另一种试剂兼容

📦 储存兼容性矩阵

	酸类	碱	氧化剂	易燃	毒性	Gazy
酸类	✓	✗	✗	✗	⚠	✗
碱	✗	✓	⚠	⚠	⚠	⚠
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

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

¹H NMR NMRShiftDB ↗ IR NIST WebBook ↗ MS MoNA ↗ UV-Vis SDBS Japan ↗ MS (NIST) NIST MS ↗ NMR (SDBS) SDBS NMR ↗ JP Monograph Farmacopea JP ↗ WHO INN WHO Model ↗ DOAJ Open Access ↗

📋 实验室方案生成器 MolGod_PROTOCOL_1

目标浓度

体积（mL）

姓名首字母

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

浓度

制备日期

姓名首字母

Deskryptory Lipinskiego (struktura)

正在加载ADMET预测…

🧪 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：

预设配方：

📚 科学文献概览 — CAS 9002-89-5MolGod_LITHUB_MAIN

⭐ 关键发现（科学文献） 1 出版物

🏆 CAS 9002-89-5 — multi-criteria ranking (W12): 30%引用·20%近期性·20%主题·15%历史·15%开放获取.

#1

Toxicity of polyvinyl alcohols in medicinal chemistry

Orkun Dalyan, Mehmet Pişkin, Ömer Faruk Öztürk (2021) · MANAS: Journal of Engineering

重要性： Open access

SCORE 7.15 药理学 Open Access DOI ↗

Tag	TF	DF	IDF	Score
medicinal	2	1	1	2
toxicity alcohols	1	1	1	1.4
alcohols medicinal	1	1	1	1.4
medicinal chemistry	1	1	1	1.4
chemistry chemical	1	1	1	1.4
chemical abstracts	1	1	1	1.4
abstracts service	1	1	1	1.4
service biodegradable	1	1	1	1.4
biodegradable biocompatible	1	1	1	1.4
biocompatible water-soluble	1	1	1	1.4

🔬 HPLC — 方法与参数 — CAS 9002-89-5MolGod_HPLCHUB_MAIN

📈 HPLC梯度——优化器（LSS）模板

logP未知——PubChem未返回XLogP值。以下梯度为15分钟内5–95% MeCN/H2O的通用模板；使用前请验证参数。

⚠ logP不可用. PubChem未返回此CAS号的XLogP3属性。以下梯度值为通用模板——并非针对该化合物的LSS拟合。

色谱柱: C18
缓冲液: phosphate
流速: 1 mL/min
logP: logP不可用
斜率: 21% → 95% B, 15 min
总分析时间: 28 min

t (min)	%A	%B	flow (mL/min)	备注
0	79	21	1	开始（平衡）
2	79	21	1	初始保持结束
17	5	95	1	LSS 梯度结束
22	5	95	1	色谱柱清洗
23	79	21	1	返回初始条件
28	79	21	1	再平衡

📚 科学参考文献（芝加哥作者-日期格式）

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).
Schoenmakers, Peter J. 1986. Optimization of Chromatographic Selectivity: A Guide to Method Development. Elsevier. — Numerical optimization of gradient programs.
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.
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.
Carr, Peter W.. 2009. "The new physical chemistry of HPLC." Journal of Chromatography A 1216: 1764-1772. [DOI ↗]
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.
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 ↗]
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).
Dolan, John W.. 2013. "When to Modify Method Conditions." LCGC North America 31: 192-199.
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/9002-89-5

📐 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 N	12,500
HETP（理论塔板高度，当前）	12.032 µm
最小 HETP	12 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）

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.
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).
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.
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.
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).
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.
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).
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.
Engelhardt, Heinz. 2014. "100 Years of Chromatography.". Wiley-VCH (2nd ed.).
Meyer, Veronika R.. 2010. "Practical High-Performance Liquid Chromatography.". Wiley (5th ed.).

REST: /wp-json/molgod/v1/hplc/column/9002-89-5

🧪 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）

Sadek, Paul C.. 2002. "The HPLC Solvent Guide.". Wiley-Interscience (2nd ed.).
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
Reichardt, Christian, and Thomas Welton. 2010. "Solvents and Solvent Effects in Organic Chemistry.". Wiley-VCH (4th ed.).
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
Krstulović, Andrea M., and Phyllis R. Brown. 1981. "Reversed-phase High-Performance Liquid Chromatography.". Wiley.
Snyder, L. R., J. J. Kirkland, and J. L. Glajch. 1997. "Practical HPLC Method Development.". Wiley (2nd ed.).
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
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
Dong, Michael W.. 2019. "HPLC and UHPLC for Practicing Scientists.". Wiley (2nd ed.). https://doi.org/10.1002/9781119313793
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 9002-89-5) are based on literature-backed models (Snyder-Dolan LSS, Neue pore-size rules).

Retention Time

1.2 min

Range: 0.84 – 1.56

confidence: low

Model: Snyder-Dolan LSS na kolumnie C18 150×4.6 mm, gradient 5→95% B w 15 min

UV λ_max

210 nm

confidence: medium

No strong chromophore detected → 210 nm uniwersalne

Concentration

0.5 mg/mL

confidence: low

Brak MW

Buffer pH

Range: 1.5 – 2.5

confidence: medium

Acid (pKa=0) → mobile phase pH 2 keeps the neutral form (better peak shape)

Injection Volume

10 μL

confidence: low

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

1. 流动相选择溶剂、纯度、购物清单

化学家的真实问题

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.

我们的解决方案

Exact Solvent List

Name + CAS + Grade + Role in method

Grade Explanations

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

Consumption Calculator

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Deep Education

理解流动相化学

Why Acetonitrile vs Methanol?

Property	Acetonitrile (ACN)	Methanol (MeOH)
Viscosity (20°C)	0.37 cP	0.59 cP (+59%)
Back Pressure	~150 bar	~210 bar (+40%)
UV Cutoff	190 nm	205 nm
Elution Strength	Stronger	Weaker
Price (typical)	115 PLN/L	70 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.

Samples per quarter

Chemist hourly rate (PLN)

Column price (PLN)

1. Solwenty — ACN vs MeOH

—

	Nasza (ACN)	Alternatywa (MeOH)
Cena/L	115 PLN	70 PLN
Runtime/sample	23 min	32 min (+40%)
Back pressure	150 bar	210 bar
Solwent/sample	~130 mL	~180 mL
Koszt/sample	~5 PLN	~4.5 PLN
Czas/sample	23 min	32 min
Czas pracy chemika	—	—
Total/quarter	—	—

2. Kolumna — z guard vs bez

—

	Nasza (z guard)	Bez guard
Guard column	200 PLN / 100 inj	—
Main column lifetime	2000 inj	500 inj
Columns / quarter	—	—
Guards / quarter	—	—
Downtime wymiany (h)	—	—
Total/quarter	—	—

3. Method development — SOP vs scratch

—

	Nasza (SOP template)	Custom dev
Initial setup	1 h (use template)	40 h (screening of phases, columns, gradients)
Walidacja (ICH Q2)	8 h	24 h
Dokumentacja	2 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/sample	5 min	23 min
Samples/8h shift	—	—
Shifts potrzebnych	—	—
Koszt pracy	—	—
Savings	—	—

Total annual savings: —

常见问题

Can I use distilled water instead of HPLC grade? +

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=) — ACN czy MeOH? +

Dla logP= rekomendacja zależy: jeśli logP<2 (polarny) → MeOH retencja wystarczy; logP≥2 (niepolarny) → ACN daje lepszy peak shape. Dla tej molekuły (MW=, CAS 9002-89-5) zaczynaj od ACN w gradiencie 5→95% B.

Source: Snyder LSS Model

How much buffer to add to 1 L of water for 10 mM NH₄HCO₃? +

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 vs MeOH — which to choose? +

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

2. 梯度优化 Timeline, slope, retention control

Gradient Problem From The Lab

Selectivity by changing the buffer

You have 3 critical peak pairs. Phosphate pH 3 gives Rs=1.4. You need to reach 2.0. Change the pH or the buffer type?

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 end	Duration	Slope (Δ%B/min)	Step

Slope & Dwell Volume Test

Flow rate (mL/min)

Gradient time (min)

%B start

%B end

—

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 k_w − 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

Dlaczego linear gradient a nie step? +

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

Source: Snyder Seminar

Jakie Rt przewidywane dla na kolumnie C18 150mm? +

Heurystyka Snyder: Rt ≈ 2.5·logP + 1.2 min. Dla (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

How to set the starting %B in the gradient? +

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

3. 色谱柱选择 C18, particle size, dimensions

Column Choice Dilemma

First column connection — no leak

A C18 100×4.6 mm column straight out of the box. How to connect it without dismantling it and spilling ACN over the autosampler?

Recommended Columns

Zorbax Eclipse Plus C18

150×4.6 mm · 3.5 μm · pH 2–9

Waters XBridge C18

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

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

Co to guard column i czy warto? +

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 vs C8 — which one when? +

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

Dla MW= — jaka porozumienie kolumny (pore size)? +

Rule of thumb: analytes MW10000 (proteins) → pore 1000 Å. For MW= (CAS 9002-89-5) use a standard C18 100 Å column.

Source: Phenomenex Guide

4. 检测设置 UV wavelength, bandwidth, response

Detection Gotcha

Why am I not seeing any peaks?

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

Lesson learned (Student MSc, UW, 2024-10):
Wavelength 254 nm does not work for most carboxylic acids — use 210 nm.

DAD Settings

Parameter	Value	Why
Wavelength	210 nm (primary) + 254 nm (aromatic)	Uniwersalne dla COOH/C=O
Bandwidth	4 nm	Balance of sensitivity vs selectivity
Response time	0.5 s	Zgodne z peak width ~5 s
Reference λ	360 nm, bw 100 nm	Kompensacja 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.

5. 方法验证 SST, precision, accuracy, robustness

Validation Reality Check

Method transfer from Warsaw to Krakow failed

At first we ran it in the Warsaw lab. Transfer to Kraków: every Rt shifted +0.8 min, Rs borderline at 1.9-2.1. Investigation: buffers from different manufacturers (Merck vs Sigma-Aldrich) differed by 0.2 in pH. 6 weeks of transfer revalidation.

Lesson learned (R&D team, 2 sites, 2025-09-18):
Transfer requires a SPEC for the buffer (manufacturer, grade, LOT). Not just „NH4HCO3 10 mM pH 7.0". Run a preliminary system suitability on the new instrument before the full transfer.

USP <621> + ICH Q2(R1) Criteria

Parameter	Acceptance	Formula
Resolution (Rs)	≥ 2.0	2(t_R2 − t_R1) / (w₁ + w₂)
Tailing factor (Tf)	≤ 1.5	W_0.05 / (2·f)
Plates (N)	≥ 5000	16·(t_R / w)²
RSD (6 injections)	≤ 2.0%	σ / μ × 100%
Linearity (R²)	≥ 0.9990	80–120% 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 (R_s) &geq; 2.0
Tailing factor (T_f) &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

Co to system suitability test (SST)? +

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

Source: USP Online

What if Rs=1.9 (fail)? +

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

Spec limits for — how to establish? +

Dla API (active pharmaceutical ingredient) typowo 98-102% label claim. Dla (CAS 9002-89-5) 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

6. 样品制备 Dilution, filtration, storage

Prep Mistakes That Ruined The Run

Dissolving the sample — in what?

Standard in an ampoule. Dissolve it in water? ACN? Methanol? The protocol does not say. The wrong solvent → smeared peaks.

Sample Prep Protocol

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

7. 下载和资源 PDF method, SOP template, validation protocols

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。

FDA finding — audit trail disabled

Director of QC, pharma 2025-11-04 Poziom 5/5

发生了什么：

FDA inspection Q3 2025. Warning Letter: "Empower audit trail disabled w 3 sekwencjach 2024-12". Investigation: stary operator który odszedł, miał privilege „Disable audit" do troubleshoot. NIKT nie wyłączył mu privileged after departure.

💡 Lekcja:

Privileged access review MONTHLY. Disable audit trail should never be enabled on prod. HR offboarding MUST trigger IT access revocation. Cost: 483 forms + 6 months of remediation.

Ghost peaks w ostatnim dniu stability

Dr. Tomasz W., PhD pharmaceutical 2024-08-22 Poziom 4/5

发生了什么：

Day 90 stability pull. 6 batch × 2 repeats. W próbce widzę duplikaty peaków z poprzedniego dnia. OOS opened. 4 dni investigation. Root cause: nie pomylony carry-over, tylko buffer NH4HCO3 zostawiony w systemie weekend = bakterie.

💡 Lekcja:

NIGDY nie zostawiaj buforu w systemie >3 dni. Zawsze flush z 80% ACN/20% H2O przed weekendem. Koszt lekcji: 4 dni pracy + 3 batch release delay.

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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 9002-89-5). For data on the current molecule see the "Chemical data", "GHS", "Toxicology" accordions above.