What is Dodecylbenzenesulphonic Acid?

Dodecylbenzenesulphonic Acid (CAS 27176-87-0) is a chemical compound with the molecular formula C₁₈H₃₀O₃S and a molar mass of 326.5 g/mol. Chemical data from PubChem (National Institutes of Health, USA).

What is the CAS number of Dodecylbenzenesulphonic Acid?

The CAS number (Chemical Abstracts Service) for Dodecylbenzenesulphonic Acid is 27176-87-0.

What is the chemical formula of Dodecylbenzenesulphonic Acid?

The molecular formula of Dodecylbenzenesulphonic Acid is C₁₈H₃₀O₃S. IUPAC name: 2-dodecylbenzenesulfonic acid.

Where to buy Dodecylbenzenesulphonic Acid (CAS 27176-87-0)?

Dodecylbenzenesulphonic Acid (CAS 27176-87-0) is available at Eapearl Chemical: https://epchems.online/products/dodecylbenzenesulphonic-acid/. Current price and availability information can be found on the product page.

Dodecylbenzenesulphonic Acid

n-Hexane

CAS 27176-87-0 EC 248-289-4 C18H30O3S Precursor SDS published CLP Danger

Specification

Product Name	Dodecylbenzenesulphonic Acid
Other Names	n-Hexane
CAS No.	27176-87-0
EINECS No.	248-289-4
MF	C18H30O3S
Molecular weight	326.49
Purity	96.0%
Appearance	Brownish-yellow to dark brown viscous liquid
Density	1.05 - 1.07 g/cm³
Melting point	315 °C
Boiling point	315 °C
Sulfuric acid (free acid)	≤1.5%

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

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.

H302 Harmful if swallowed
H311 Toxic in contact with skin
H314 Causes severe skin burns and eye damage
H318 Causes serious eye damage
H411 Toxic to aquatic life with long lasting effects
H412 Harmful to aquatic life with long lasting effects
H315 Causes skin irritation
H401 Toxic to aquatic life

Precautionary statements (24)

P260 Do not breathe dust/fume/gas/mist/vapours/spray
P262 Do not get in eyes, on skin, or on clothing
P264 Wash thoroughly after handling
P264+P265
P270 Do not eat, drink or smoke when using this product
P273 Avoid release to the environment
P280 Wear protective gloves/protective clothing/eye protection/face protection
P301+P317
P301+P330+P331
P302+P352
P302+P361+P354
P304+P340
P305+P354+P338
P316
P317
P321 Specific treatment
P330 Rinse mouth
P361+P364
P363 Wash contaminated clothing before reuse
P391 Collect spillage
P405 Store locked up
P501 Dispose of contents/container to an approved waste collection point
P332+P317
P362+P364

Full safety data sheet CLP label (EN)

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

Packaging and shipping

Drum215kg

IBC Drum1127 kg

ISO tank (20ft)24–26 m³

ISO tank (40ft)48–50 m³

Dodecylbenzenesulphonic Acid (abbreviated as DBSA or LABSA) is a strong acidic organic compound obtained by the sulfonation reaction of straight-chain alkylbenzene (LAB). Its chemical formula is C₁₈H₃₀O₃S and its molecular weight is 326.49. The product provided by Anhui Yipu Chemical has a high active substance content (≥96%), strict impurity control, and appears as a brownish-yellow to dark brown viscous liquid with a slightly irritating odor. It is a key precursor for the production of sodium dodecylbenzenesulfonate (LAS/SDBS), and due to its outstanding cleaning power, excellent foaming properties, good emulsification and dispersion performance, and relatively good biodegradability, it has become an indispensable basic raw material for household cleaning, industrial cleaning, personal care, and multiple industrial fields.

Dodecylbenzenesulfonic acid (LABSA) 96% Supplier of highly active anionic surfactants, providing comprehensive application solutions for industrial cleaning, textile auxiliaries, and other fields.

Product Description

Anhui Eapearl Chemical Co., Ltd., as a professional chemical supplier in China, strictly adheres to all the national laws and regulations regarding the management of hazardous chemicals. We are committed to providing our customers with high-quality, stable and reliable twelve alkybenzenesulfonic acid (DBSA/LABSA) products, and emphasize its core value as the core raw material for the largest global usage and the most cost-effective anionic surfactant. At the same time, safety, compliance and sustainability are placed at the top of our operations.

Dodecylbenzenesulfonic acid (Dodecylbenzenesulphonic Acid, abbreviated as DBSA or LABSA) is a strong acidic organic compound obtained by sulfonation reaction of straight-chain alkylbenzene (LAB). Its molecular formula is C₁₈H₃₀O₃S and its molecular weight is 326.49. The products provided by Anhui Yipu Chemical have a high active substance content (≥96%), strict impurity control, and an appearance of brownish-yellow to dark brown viscous liquid with a slight irritating odor. It is a key precursor for the production of twelve alkybenzenesulfonate (LAS/SDBS), and due to its outstanding cleaning power, excellent foaming performance, good emulsification and dispersion properties, and relatively good biodegradability, it becomes an indispensable basic raw material for household cleaning, industrial cleaning, personal care and multiple industrial fields.

The core value of dodecylbenzenesulfonic acid lies in its efficient surface activity, strong decontamination and degreasing ability, excellent foaming performance, as well as good formulation compatibility and cost-effectiveness.

Household and industrial detergents (dominant application):

Core raw material for laundry powder/liquid: As the main anionic surfactant precursor, the LAS generated after neutralization is the core decontaminating component of various laundry powders, laundry liquids, and detergents, capable of quickly penetrating and decomposing oil stains. Dishwashing liquid and tableware cleaner: Highly efficient in removing oil stains, with abundant foam and easy to rinse.

General cleaning agents: Used for hard surface cleaning in households and public facilities such as hotels and restaurants.

Personal care products:

Shampoo, body wash, hand sanitizer: As the main surfactant or as a compound component, they provide cleaning power and abundant foam.

Industrial and professional fields:

Textile printing and dyeing auxiliaries: Used as a penetrating agent, leveling agent, and detergent

Pesticide emulsifiers: Used to prepare pesticide formulations such as emulsions and water emulsions, improving dispersion and adhesion

Emulsion polymerization: As an emulsifier for synthesizing rubber, resin, etc. Metal cleaning agents and degreasers: Utilizing their strong emulsifying ability to remove oils. Others: Used as curing catalysts for amino varnishes, foaming agents for concrete, paper pulp removal agents, etc.

Dodecylbenzenesulfonic acid (LABSA) 96% Supplier of highly active anionic surfactants, providing comprehensive application solutions for industrial cleaning, textile auxiliaries, and other fields.

Delivery&Payment method

Dodecylbenzenesulfonic acid (LABSA) 96% Supplier of highly active anionic surfactants, providing comprehensive application solutions for industrial cleaning, textile auxiliaries, and other fields.

Frequently asked

In what packaging is Dodecylbenzenesulphonic Acid shipped?

Standard formats are Drum (215kg), IBC Drum (1127 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 Dodecylbenzenesulphonic Acid?

Yes. A full safety data sheet for CAS 27176-87-0 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 96.0%. Tighter specifications are confirmed against the production batch before shipment.

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🧬 3D Molecule Visualizer

Data transcribed from regulatory registers and technical literature, with the source and edition stated. It does not replace the supplier's safety data sheet. Fields without a recorded source are marked as such.

📊 Physicochemical data — CAS 27176-87-0MolGod_PROPHUB_MAIN

📊 Physicochemical properties

Quick Reference

Formula: C₁₈H₃₀O₃S

MW: 326.5 g/mol

CAS: 27176-87-0

🔬 Advanced Properties

Chemical Identifiers

SMILES: CCCCCCCCCCCCC1=CC=CC=C1S(=O)(=O)O

Last updated: unconfirmed

Chemical Overview: Dodecylbenzenesulfonic acidMolGod_OVERVIEW_1

Molecular formula	C₁₈H₃₀O₃S
Molecular weight	326.5 g/mol
IUPAC name	2-dodecylbenzenesulfonic acid
SMILES	`CCCCCCCCCCCCC1=CC=CC=C1S(=O)(=O)O`
InChIKey	`WBIQQQGBSDOWNP-UHFFFAOYSA-N`

Data sources: PubChem (NLM/NIH)
Last updated: 2026-09-17

SCIENTIFIC RESEARCH

[1]CrossRef2025

Perceived white region of displays with varied color gamuts

Xinyuan Gao, Shining Ma, Gen Li et al.. (2025). "Perceived white region of displays with varied color gamuts". Optics Express. https://doi.org/10.1364/oe.565249

[2]CrossRef2025

Optimized photoluminescence in NaCaPO4 phosphors by rare-earth tuning towards white light emission

Mudasir Farooq, Mir Hashim Rasool. (2025). "Optimized photoluminescence in NaCaPO4 phosphors by rare-earth tuning towards white light emission". Ceramics International. https://doi.org/10.1016/j.ceram

[3]CrossRef2025

Dynamics of ferro fluid droplet impact on hydrophobic mesh surface

Bekir Sami Yilbas, Ghassan Hassan, Abdullah Al-Sharafi et al.. (2025). "Dynamics of ferro fluid droplet impact on hydrophobic mesh surface". RSC Advances. https://doi.org/10.1039/d5ra02833g

[4]PubMed2025

The anionic surfactant Sodium Dodecyl Benzene Sulfonate alleviates inflammatory responses in atopic dermatitis via NFκB/MAPK pathways in a…

Zhang H, Li Z, Mu Z et al.. (2025). "The anionic surfactant Sodium Dodecyl Benzene Sulfonate alleviates inflammatory responses in atopic dermatitis via NFκB/MAPK pathways in a STAT3-dependent manner."

[5]CrossRef2025

A Spatiotemporal Decoupled Framework Incorporating Contrastive Learning for RGB-D Gesture Recognition

Yutong Hu, Shaohua Wang, Qingwu Hu et al.. (2025). "A Spatiotemporal Decoupled Framework Incorporating Contrastive Learning for RGB-D Gesture Recognition". IEEE Sensors Journal. https://doi.org/10.110

[6]CrossRef2024

Physical mechanisms of the Sec machinery operation

Ekaterina Sobakinskaya, Frank Müh. (2024). "Physical mechanisms of the Sec machinery operation". Physical Chemistry Chemical Physics. https://doi.org/10.1039/d4cp03201b

[7]PubMed2024

SDBS-AEO Mixture for Triton X-100 Replacement: Surface Activity and Application in Biosensors.

Li Z, Wang L, Tang M et al.. (2024). "SDBS-AEO Mixture for Triton X-100 Replacement: Surface Activity and Application in Biosensors.". Biosensors. https://doi.org/10.3390/bios14100505

[8]PubMed2024

A comparative study of extraction free detection of HBV DNA using sodium dodecyl sulfate, N-lauroylsarcosine sodium salt, and…

Ko K, Lokteva LM, Akuffo GA et al.. (2024). "A comparative study of extraction free detection of HBV DNA using sodium dodecyl sulfate, N-lauroylsarcosine sodium salt, and sodium dodecyl benzene sulfon

📚 Scientific references (Chicago Author-Date) 20 refs · 2 baz

MOLECULE Per-CAS bibliography (live from 13+ databases)

Sources: db:crossref (9) · db:pubmed (11)

db:crossref Xinyuan Gao, Shining Ma, Gen Li et al.. (2025). "Perceived white region of displays with varied color gamuts". Optics Express. https://doi.org/10.1364/oe.565249 →
db:crossref Mudasir Farooq, Mir Hashim Rasool. (2025). "Optimized photoluminescence in NaCaPO4 phosphors by rare-earth tuning towards white light emission". Ceramics International. https://doi.org/10.1016/j.ceramint.2025.03.392 →
db:crossref Bekir Sami Yilbas, Ghassan Hassan, Abdullah Al-Sharafi et al.. (2025). "Dynamics of ferro fluid droplet impact on hydrophobic mesh surface". RSC Advances. https://doi.org/10.1039/d5ra02833g →
db:pubmed Zhang H, Li Z, Mu Z et al.. (2025). "The anionic surfactant Sodium Dodecyl Benzene Sulfonate alleviates inflammatory responses in atopic dermatitis via NFκB/MAPK pathways in a STAT3-dependent manner.". Scientific reports. https://doi.org/10.1038/s41598-025-12776-z →
db:crossref Yutong Hu, Shaohua Wang, Qingwu Hu et al.. (2025). "A Spatiotemporal Decoupled Framework Incorporating Contrastive Learning for RGB-D Gesture Recognition". IEEE Sensors Journal. https://doi.org/10.1109/jsen.2025.3576794 →
db:crossref Ekaterina Sobakinskaya, Frank Müh. (2024). "Physical mechanisms of the Sec machinery operation". Physical Chemistry Chemical Physics. https://doi.org/10.1039/d4cp03201b →
db:pubmed Li Z, Wang L, Tang M et al.. (2024). "SDBS-AEO Mixture for Triton X-100 Replacement: Surface Activity and Application in Biosensors.". Biosensors. https://doi.org/10.3390/bios14100505 →
db:pubmed Ko K, Lokteva LM, Akuffo GA et al.. (2024). "A comparative study of extraction free detection of HBV DNA using sodium dodecyl sulfate, N-lauroylsarcosine sodium salt, and sodium dodecyl benzene sulfonate.". Scientific reports. https://doi.org/10.1038/s41598-024-75944-7 →
db:pubmed Zhu R, Wang R, Li J et al.. (2024). "An artificial liquid-liquid phase separation-driven silk fibroin-based adhesive for rapid hemostasis and wound sealing.". Acta biomaterialia. https://doi.org/10.1016/j.actbio.2024.05.024 →
db:pubmed Sun G, Jia R, Zhang Y et al.. (2024). "Mechanisms of the novel pesticide sodium dodecyl benzene sulfonate in the mitigation of protozoan ciliated pathogens during microalgal cultivation.". Marine pollution bulletin. https://doi.org/10.1016/j.marpolbul.2024.116204 →
db:crossref Marina Toplak, Raspudin Saleem‐Batcha, Jörn Piel et al.. (2021). "Catalytic Control of Spiroketal Formation in Rubromycin Polyketide Biosynthesis". Angewandte Chemie. https://doi.org/10.1002/ange.202109384 →
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db:pubmed Becker LC, Bergfeld WF, Belsito DV et al.. (2010). "Amended safety assessment of dodecylbenzenesulfonate, decylbenzenesulfonate, and tridecylbenzenesulfonate salts as used in cosmetics.". International journal of toxicology. https://doi.org/10.1177/1091581810386124 →
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Regulatory status of the substance

No entries for this CAS in the restriction lists checked (SVHC candidate list, REACH Annex XVII; datasets incomplete — this is not a confirmation of compliance). CLP classification and transport status (ADR): see the GHS section and the safety data sheet (SDS).

🧮 Stoichiometry CalculatorMolGod_STOICH_1

🧪 Chemical DataMolGod_CHEMDATA_1

CAS Number: 27176-87-0
Molecular formula: C₁₈H₃₀O₃S
Molar mass: 326.5 g/mol
IUPAC name (EN): 2-dodecylbenzenesulfonic acid
SMILES: CCCCCCCCCCCCC1=CC=CC=C1S(=O)(=O)O
InChIKey: WBIQQQGBSDOWNP-UHFFFAOYSA-N

📡 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.

🔍 External identifiersMolGod_EXTID_1

4 of 16 ID systems25%

Database	Identifier	Actions
CAS Registry Number	27176-87-0	Open →
PubChem CID	25457^[1]	Open →
InChIKey	WBIQQQGBSDOWNP-UHFFFAOYSA-N^[1]	Open →
SMILES	CCCCCCCCCCCCC1=CC=CC=C1S(=O)(=O)O^[1]

Sources: PubChem (NIH), Wikidata SPARQL, KEGG, ChEMBL (EBI), CompTox CTX (EPA).

📚 Scientific references (Chicago Author-Date) (1 sources)

PubChem. National Center for Biotechnology Information (NIH/NLM), chemical compound database. ↗ dotyczy: PubChem CID · InChIKey · SMILES

📡 Spectroscopy — CAS 27176-87-0MolGod_SPECHUB_MAIN

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📚 NIST Chemistry WebBook, SRD 69

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📚 NIST Standard Reference Database 1A

UV-Vis UV/Visible Absorption — NIST WebBook

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📚 NIST Chemistry WebBook, SRD 69

¹H NMR NMR (¹H, ¹³C) — NMRShiftDB

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📚 Steinbeck C et al. (2003) J. Chem. Inf. Comput. Sci. 43(1):10–16 DOI: 10.1021/ci025588g

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📚 MassBank of North America (UC Davis) DOI: 10.1002/jms.1777

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JP Monograph Japanese Pharmacopoeia — Monographs

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WHO INN WHO — International Nonproprietary Names

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DOAJ DOAJ — Directory of Open Access Journals

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Structural propertiesMolGod_STRUCT3D_1

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❓ Frequently asked questions (3)MolGod_FAQ_1

What is 27176-87-0?

27176-87-0 (CAS 27176-87-0) is a chemical compound. The chemical data comes from PubChem (National Institutes of Health, USA).

Helpful?

What is the CAS number of 27176-87-0?

The CAS number for 27176-87-0 is 27176-87-0. A CAS Registry Number is the standard identifier for a chemical substance in scientific literature and in trade.

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How should 27176-87-0 be stored?

27176-87-0 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.

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Source: PubChem, National Library of Medicine (NIH). CID: 25457

🔄 Concentration unit converter LIVE MolGod_UNITCONV_1

Enter the Dodecylbenzenesulfonic acid concentration in any unit — the rest will be calculated automatically.

MW: 326.5 g/mol · IUPAC Gold Book ↗

⚗️ Conversion formulas + citations (per formula)

Conversion	Formula	Accuracy	Source
% (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)

📚 Bibliography (8 authoritative sources)

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

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🛡️ Safety — CAS 27176-87-0MolGod_SAFEHUB_MAIN

Data limitations notice. The safety information on this page is for reference only and does not replace a full safety data sheet (SDS). Before using the product, consult the manufacturer's current safety data sheet and the GHS/CLP guidance. The CLP classification applies to the pure bulk substance, not to commercial formulations.

No harmonised GHS classification for this substance — see the supplier's current safety data sheet (SDS).

☢️ Toxicological data (IARC + EPA CTX)

🧬 IARC Carcinogen Classification

IARC classification:

No individual IARC entry for this CAS No separate IARC monograph in the checked lists — this is NOT confirmation of a lack of carcinogenicity. Check the CLP/GHS classification (CMR / GHS section).

🌍 Ecotoxicology & environmental fate (SDS sec. 8/12)

EC₅₀ (Daphnia): 11.2 mg/L (Daphnia magna, 48 h)

Source: U.S. EPA ECOTOX Knowledgebase — https://cfpub.epa.gov/ecotox/

📚 Sources: IARC Monographs (WHO)
Last verified: unconfirmed

📚 Sources · Bibliography (Chicago Notes-Bibliography)

Xinyuan Gao, Shining Ma, Gen Li et al.. (2025). "Perceived white region of displays with varied color gamuts". Optics Express. https://doi.org/10.1364/oe.565249 [DOI]
Mudasir Farooq, Mir Hashim Rasool. (2025). "Optimized photoluminescence in NaCaPO4 phosphors by rare-earth tuning towards white light emission". Ceramics International. https://doi.org/10.1016/j.ceramint.2025.03.392 [DOI]
Bekir Sami Yilbas, Ghassan Hassan, Abdullah Al-Sharafi et al.. (2025). "Dynamics of ferro fluid droplet impact on hydrophobic mesh surface". RSC Advances. https://doi.org/10.1039/d5ra02833g [DOI]
Zhang H, Li Z, Mu Z et al.. (2025). "The anionic surfactant Sodium Dodecyl Benzene Sulfonate alleviates inflammatory responses in atopic dermatitis via NFκB/MAPK pathways in a STAT3-dependent manner.". Scientific reports. https://doi.org/10.1038/s41598-025-12776-z [DOI]
Yutong Hu, Shaohua Wang, Qingwu Hu et al.. (2025). "A Spatiotemporal Decoupled Framework Incorporating Contrastive Learning for RGB-D Gesture Recognition". IEEE Sensors Journal. https://doi.org/10.1109/jsen.2025.3576794 [DOI]
Ekaterina Sobakinskaya, Frank Müh. (2024). "Physical mechanisms of the Sec machinery operation". Physical Chemistry Chemical Physics. https://doi.org/10.1039/d4cp03201b [DOI]
Li Z, Wang L, Tang M et al.. (2024). "SDBS-AEO Mixture for Triton X-100 Replacement: Surface Activity and Application in Biosensors.". Biosensors. https://doi.org/10.3390/bios14100505 [DOI]
Ko K, Lokteva LM, Akuffo GA et al.. (2024). "A comparative study of extraction free detection of HBV DNA using sodium dodecyl sulfate, N-lauroylsarcosine sodium salt, and sodium dodecyl benzene sulfonate.". Scientific reports. https://doi.org/10.1038/s41598-024-75944-7 [DOI]
Zhu R, Wang R, Li J et al.. (2024). "An artificial liquid-liquid phase separation-driven silk fibroin-based adhesive for rapid hemostasis and wound sealing.". Acta biomaterialia. https://doi.org/10.1016/j.actbio.2024.05.024 [DOI]
Sun G, Jia R, Zhang Y et al.. (2024). "Mechanisms of the novel pesticide sodium dodecyl benzene sulfonate in the mitigation of protozoan ciliated pathogens during microalgal cultivation.". Marine pollution bulletin. https://doi.org/10.1016/j.marpolbul.2024.116204 [DOI]
Marina Toplak, Raspudin Saleem‐Batcha, Jörn Piel et al.. (2021). "Catalytic Control of Spiroketal Formation in Rubromycin Polyketide Biosynthesis". Angewandte Chemie. https://doi.org/10.1002/ange.202109384 [DOI]
Harjo M, Järvekülg M, Tamm T et al.. (2020). "Concept of an artificial muscle design on polypyrrole nanofiber scaffolds.". PloS one. https://doi.org/10.1371/journal.pone.0232851 [DOI]
Parrilla M, Guinovart T, Ferré J et al.. (2019). "A Wearable Paper-Based Sweat Sensor for Human Perspiration Monitoring.". Advanced healthcare materials. https://doi.org/10.1002/adhm.201900342 [DOI]
Jing Gao, Yinghui Zhang, Yang Liu. (2018). "A Novel Diversity Receiver Design for Cooperative Transmission System". IEEE Access. https://doi.org/10.1109/access.2018.2832189 [DOI]
Wolfgang Dreyer, Clemens Guhlke, Rüdiger Müller. (2015). "Modeling of electrochemical double layers in thermodynamic non-equilibrium". Physical Chemistry Chemical Physics. https://doi.org/10.1039/c5cp03836g [DOI]

📚 Consolidated scientific references — Chicago Author-Date 10 sources

References collected from all Safety Hub tabs. CAS: 27176-87-0 · 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, Regulations
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

Tabs with their own references (Emergency, PPE, Storage, Waste) contain additional bibliographic entries within their respective sections.

📈 Analytical statistics (t-test · RSD · Grubbs · Q-Dixon) ICH Q2

Paste a series of replicate measurements (CSV, or one number per line). The calculator computes the mean, standard deviation and 95% CI, and detects outliers (Grubbs + Dixon Q).

Measurement results:

Separator: comma, space, tab, new line. Minimum 3 measurements.

📐 Statistical formulas

x̄ = Σxᵢ / n — arithmetic mean
s² = Σ(xᵢ - x̄)² / (n-1) — sample variance
s = √s² — standard deviation
RSD% = (s / x̄) × 100% — relative standard deviation
CI₉₅ = x̄ ± t(0.05, n-1) × s / √n — Student's t
G = |xᵢ - x̄| / s — Grubbs' test
Q = |xsuspect - xnearest| / |xmax - xmin| — Dixon Q-test

Source: ICH Q2(R2) Validation of Analytical Procedures · ICH PDF ↗

🧪 Buffer Recipe Calculator UNIQUE

Choose a buffer from the list of 20 popular systems → enter the target pH → get an exact recipe with the masses to weigh out.

Step 1: Choose a buffer system

📜 Recipe history (last 10)

📅 Project Planner — Lab Experiment Manager NEW

Plan your entire laboratory project: add experiments with reagents, replicates, and duration. You'll get a Gantt chart, a shopping list (with links to the store!), a budget with a 10% margin, and a GHS risk matrix.

🧪 Solubility and solvent compatibility MolGod_SOLUB_1

Molecule

Dodecylbenzenesulfonic acid

Formula

C₁₈H₃₀O₃S

logP (XLogP3)

—

Mass (g/mol)

326.5

Polarity

—

⚠️ GC estimate (Hoftyzer–Van Krevelen). No literature HSP data for this CAS — precision ±2 MPa½. Verify experimentally.

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.

Sources: PubChem (NIH) · Hansen Solubility Database

📚 Scientific references for solvents (Chicago Author-Date) — click to expand

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

Solubility theory (applied in compatibility prediction):

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 triplet (dD, dP, dH) + Ra formula.
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 — Complete tabular set of 250+ solvents (ε, μ, donicity, acceptor numbers).
PubChem Compound Database — CAS 27176-87-0 lookup ↗ — logP (XLogP3), water solubility experimental + predicted.

Full bibliography in the REFERENCES accordion (at the bottom of the page) — Chicago Manual of Style 17th ed., Author-Date.

⚗️ Check reaction compatibility MolGod_RXNCOMP_1

Check whether Dodecylbenzenesulfonic acid is compatible with another reagent

📦 Storage compatibility matrix

	Acids	Bases	Oxidizers	Flammable	Toxic	Gazy
Acids	✓	✗	✗	✗	⚠	✗
Bases	✗	✓	⚠	⚠	⚠	⚠
Oxidizers	✗	⚠	✓	✗	⚠	✗
Flammable	✗	⚠	✗	✓	⚠	✗
Toxic	⚠	⚠	⚠	⚠	✓	⚠
Gazy	✗	⚠	✗	✗	⚠	✓

✓ Can be stored together · ⚠ Caution · ✗ Do NOT store together · OSHA Chemical Segregation ↗

Compatibility data from: Bretherick's Handbook (7th ed.) ↗, GESTIS ↗, ECHA REACH ↗, NFPA 704 ↗

🧮 Laboratory calculators (8) MolGod_LABCALC_1

ppm → mg/L

Temperature C↔F↔K

Verified formulas: IUPAC Gold Book ↗, DOI ↗

📊 Spectroscopic Databases 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 ↗

📋 Laboratory protocol generator MolGod_PROTOCOL_1

Target concentration

Volume (mL)

Initials

Protocol generated based on: GHS SDS, Aldrich Lab Guide ↗

🏷️ Label generator (QR) MolGod_LABEL_1

Concentration

Preparation Date

Initials

🧪 Solution preparation assistant (Smart Prep) MolGod_PREP_2

Enter what you want to prepare — I'll generate an SOP

Examples below — click to insert:

Preset recipes:

📚 Scientific literature overview — CAS 27176-87-0MolGod_LITHUB_MAIN

⭐ Key findings (scientific literature) 15 publications

🏆 CAS 27176-87-0 — multi-criteria ranking (W12): 30% citations · 20% recency · 20% topic · 15% historical · 15% open access.

#1

ADSORPTION OF DODECYLBENZENESULFONIC ACID ON THE ALUMINA PARTICLES IN THE PREPARATION OF ALUMINA FOAM

Zora Hajduchova (2018) · Ceramics - Silikaty

Why it matters: Open access

SCORE 8.34 Mechanism Citations: 16 Open Access DOI ↗
#2

Esterification of oleic acid for biodiesel production catalyzed by 4-dodecylbenzenesulfonic acid

Alexandra Alegría, Jorge Cuellar (2015) · Applied Catalysis B: Environmental

Why it matters: Selected by multi-criteria score (citations + recency + topic + historical + OA).

SCORE 7.16 Industrial Citations: 76 DOI ↗
#3

Low-Temperature Esterification to Produce Oleic Acid-Based Wax Esters Catalyzed by 4-Dodecylbenzenesulfonic Acid

Zhenzhen Li, Wei Liu, Guolong Yang (2021) · Catalysts

Why it matters: Open access

SCORE 6.98 Mechanism Citations: 2 Open Access DOI ↗
#4

Spectroelectrochemistry and Preresonance Raman Spectroscopy of Polyaniline−Dodecylbenzenesulfonic Acid Colloidal Dispersions

Subrahmanya Shreepathi, Rudolf Holze (2006) · Langmuir

Why it matters: Selected by multi-criteria score (citations + recency + topic + historical + OA).

SCORE 6.3 Analytics Citations: 36 DOI ↗
#5

The Assessment of Microbial Surfactants as Asphaltenes Dispersants: Sophorolipids vs Dodecylbenzenesulfonic Acid

Janaina I. S. Aguiar, Jonathan Rogers, Amir Mahmoudkhani (2020) · Offshore Technology Conference

Why it matters: Selected by multi-criteria score (citations + recency + topic + historical + OA).

SCORE 5.9 Industrial Citations: 4 DOI ↗
#6

Chemical oxidative polymerization of dodecylbenzenesulfonic acid aniline salt in chloroform

Noriyuki Kuramoto, Atsuro Tomita (1997) · Synthetic Metals

Why it matters: Selected by multi-criteria score (citations + recency + topic + historical + OA).

SCORE 4.74 Mechanism Citations: 37 DOI ↗
#7

dodecylbenzenesulfonic acid

N. Rocoby (2020) · Catalysis from A to Z

Why it matters: Selected by multi-criteria score (citations + recency + topic + historical + OA).

SCORE 3 Mechanism DOI ↗
#8

Investigation of (Dodecylbenzenesulfonic acid, sodium salt)

(2017) · Chemical Effects in Biological Systems (CEBS)

Why it matters: Selected by multi-criteria score (citations + recency + topic + historical + OA).

SCORE 2.1 Mechanism DOI ↗
#9

Nanoorganization and Phase Behavior of Mixtures of Nicotinic Acid with Dodecylbenzenesulfonic Acid

Isamu Akiba, Hiroyasu Masunaga, Kanako Sasaki (2004) · Soft Materials

Why it matters: Selected by multi-criteria score (citations + recency + topic + historical + OA).

SCORE 0.9 Mechanism Citations: 1 DOI ↗
#10

Molecular Mechanisms of Suppressing Asphaltene Aggregation and Flocculation by Dodecylbenzenesulfonic Acid Probed by Molecular Dynamics Simulations

Why it matters: Selected by multi-criteria score (citations + recency + topic + historical + OA).

SCORE 0.8 Mechanism DOI ↗
#11

Dodecylbenzenesulfonic Acid

(2007) · Hawley's Condensed Chemical Dictionary

Why it matters: Selected by multi-criteria score (citations + recency + topic + historical + OA).

SCORE 0 Mechanism DOI ↗
#12

Effect of Dodecylbenzenesulfonic Acid as an Asphaltene Dispersant on the W/O Emulsion Stabilized by Asphaltenes and Paraffin Wax

Why it matters: Selected by multi-criteria score (citations + recency + topic + historical + OA).

SCORE 0 Mechanism DOI ↗
#13

p‐Dodecylbenzenesulfonic acid

Tse‐Lok Ho, Mary Fieser, Louis Fieser (2006) · Fieser and Fieser's Reagents for Organic Synthesis

Why it matters: Selected by multi-criteria score (citations + recency + topic + historical + OA).

SCORE 0 Mechanism DOI ↗
#14

Molecular Architecture Effect on Microphase Separation in Supramolecular Comb-Coil Complexes of Polystyrene-block-poly(2-vinylpyridine) with Dodecylbenzenesulfonic Acid: AnBn Heteroarm Star Copolymer

Why it matters: Selected by multi-criteria score (citations + recency + topic + historical + OA).

SCORE 0 Mechanism DOI ↗
#15

Effect of the Interactions between Asphaltenes and Amphiphilic Dodecylbenzenesulfonic Acid on the Stability and Interfacial Properties of Model Oil Emulsions

Why it matters: Selected by multi-criteria score (citations + recency + topic + historical + OA).

SCORE 0 Mechanism DOI ↗

Tag	TF	DF	IDF	Score
asphaltenes	5	3	2.386	11.931
oleic	3	2	2.674	8.022
-dodecylbenzenesulfonic	3	2	2.674	8.022
molecular	3	2	2.674	8.022
catalyzed -dodecylbenzenesulfonic	2	2	2.674	7.487
esterification	2	2	2.674	5.348
production	2	2	2.674	5.348
salt	2	2	2.674	5.348
asphaltene	2	2	2.674	5.348

🔬 HPLC — methods & parameters — CAS 27176-87-0MolGod_HPLCHUB_MAIN

📈 HPLC gradient — optimizer (LSS) TEMPLATE

logP unknown — PubChem did not return an XLogP value. The gradient below is a generic 5–95% MeCN/H2O template over 15 min; verify parameters before use.

⚠ logP unavailable. PubChem did not return an XLogP3 value for this CAS number. The gradient values below are a generic template — not an LSS fit for this compound.

Column: C18
Buffer: phosphate
Flow: 1 mL/min
logP: logP unavailable
Ramp: 21% → 95% B, 15 min
Total analysis time: 28 min

t (min)	%A	%B	flow (mL/min)	Comment
0	79	21	1	start (equilibrium)
2	79	21	1	end of initial hold
17	5	95	1	end of LSS ramp
22	5	95	1	column wash
23	79	21	1	return to init
28	79	21	1	re-equilibration

📚 Scientific references (Chicago Author-Date)

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/27176-87-0

📐 Column dimensions — van Deemter calculator N=12,466

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

Dimensions	150 × 4.6 mm, 5 µm
Theoretical plates (N)	12,466
N at u_opt	12,500
HETP (current)	12.032 µm
Min. HETP	12 µm
Linear velocity (u)	0.1003 cm/s
u_opt (van Deemter)	0.12 cm/s
Back pressure (ΔP)	42.1 bar
Analysis time (dead volume)	2.49 min

📚 Scientific references (Chicago Author-Date)

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/27176-87-0

🧪 Mobile phase — compatibility matrix MISCIBLE

Component	Name	UV cutoff (nm)	P'	Detectors
Solv.	Acetonitrile (MeCN)	190	5.8	UV, MS, ELSD, RID, FLD
Solv.	Water	190	10.2	UV, MS, ELSD, RID, FLD
Buffer	Phosphate (KH2PO4 / K2HPO4)	195	pH 2.0-3.0 / 6.5-8.0 / 11.0-12.5	MS ✗

Detector: UV — compatible with both solvents.

📚 Scientific references (Chicago Author-Date)

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=...

Complete HPLC Method Guide Peer-Reviewed

Molecule-specific scenarios, troubleshooting, and literature references

Molecular Predictor

The predicted parameters for this molecule (CAS 27176-87-0) 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. Mobile Phase Selection Solvents, grades, shopping list

Real Chemist Problem

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.

How We Solve This

Exact Solvent List

Name + CAS + Grade + Role in method

Grade Explanations

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

Consumption Calculator

Number of Samples:

Flow Rate (mL/min):

Runtime (min):

Solvent	Per Sample	Total Needed	Buy (bottles)	Cost
TOTAL COST:	0 PLN

Shopping List

One-click add to cart

Interactive Calculator

Number of Samples:

Flow Rate (mL/min):

Runtime (min):

Solvent	Per Sample	Total Needed	Buy (bottles)	Cost
TOTAL COST:	0 PLN

Deep Education

Understanding Mobile Phase Chemistry

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: —

Frequently Asked Questions

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

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

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 27176-87-0) zaczynaj od ACN w gradiencie 5→95% B.

Source: Snyder LSS Model

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

2. Gradient Optimization Timeline, slope, retention control

Gradient Problem From The Lab

MS/MS for trace impurities

You need an LOQ of 0.01%. UV cannot manage it. Triple quad — which MRM transitions to choose without an impurity standard?

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.

Frequently Asked Questions

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

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

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

3. Column Selection C18, particle size, dimensions

Column Choice Dilemma

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?

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

Frequently Asked Questions

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 27176-87-0) use a standard C18 100 Å column.

Source: Phenomenex Guide

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

4. Detection Settings UV wavelength, bandwidth, response

Detection Gotcha

Eksport chromatogramu do raportu

Your boss wants a PNG of the chromatogram for a presentation. You only have ChemStation with a .ch file. How to get from .ch → PNG?

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. Method Validation SST, precision, accuracy, robustness

Validation Reality Check

High-throughput screening 100+ samples/day

Lab QC — 100 samples a day. 23 min per sample = 38h (impossible). You need a fast method <5 min + column switcher.

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

Frequently Asked Questions

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

Spec limits for — how to establish? +

Dla API (active pharmaceutical ingredient) typowo 98-102% label claim. Dla (CAS 27176-87-0) 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

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

6. Sample Preparation Dilution, filtration, storage

Prep Mistakes That Ruined The Run

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?

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. Downloads & Resources 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

Forensic Fix — real failure stories Lessons learned

Real chemists' mishaps — what happened, what helped, what to avoid.

48 godzin stracone na niewidoczne piki

Anna K., studentka 2. rok, PW 2024-11-15 Poziom 2/5

What happened:

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.

💡 Lekcja:

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.

Why am I not seeing any peaks?

Student MSc, UW 2024-10 Poziom 2/5

What happened:

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

Hi — I'm trained on all scenarios, FAQ, and literature for this method. Ask me anything.

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Do you have experience with this method? A problem you solved? A mishap you want to spare others? Write to us — after moderator approval it will appear here as „real case".

🔄 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 27176-87-0). For data on the current molecule see the "Chemical data", "GHS", "Toxicology" accordions above.