CAS 112-86-7PubChem CID 5281116
Erucic Acid
- IUPAC name
- (Z)-docos-13-enoic acid
- Molecular formula
- C22H42O2
- Molecular weight
- 338.6 g/mol
- Exact mass
- 338.318480578 Da
- XLogP3
- 8.7
- Topological polar surface area
- 37.3 Ų
- Hydrogen-bond donors
- 1
- Hydrogen-bond acceptors
- 2
- Covalent units
- 1
- Defined stereocentres
- 0
Also known as
cis-13-Docosenoic acid13-cis-Docosenoic acidHystrene 229013-Docosenoic acid, (Z)-13-Docosenoic acid, (13Z)-13Z-docosenoic acidPrifrac 2990Z-13-Docosenoic acid
16 more reported names
delta13-cis-Docosenoic acid(13Z)-Docosenoic acidC22:1n-9CHEBI:28792docos-13c-enoic acidNSC-6814C22:1,n-9 cis22:1(N-9)RefChem:5801Cis 13-docosaenoic AcidCis-docos-13-enoic AcidFatty Acid 22:1 n-9 cisFatty Acid cis 22:1 n-922:1 n-9204-011-3(Z)-13-Docosenoic acid
External database identifiers
- ChEBI:CHEBI:28792
- ChEMBL:CHEMBL1173380
- EPA DTXSID:DTXSID8026931
- PubMed:20671299
- PubMed:6517562
Evidence from additional scientific databases
NIH PubChem PUG-View
Exact identifier match5281116
Attributed physical-property, hazard, environmental and use annotations.
- Boiling Point: 265 °C at 15 mm Hg Source: Hazardous Substances Data Bank (HSDB)
- Boiling Point: Iodine value 74.98; neutralization value 165.72; bp: 381.5 °C (decomp) at 760 mm hg; 358.8 °C at 400 mm Hg; 314.4 °C at 100 mm Hg; 206.7 °C at 1.0 mm Hg Source: Hazardous Substances Data Bank (HSDB)
- Color/Form: Needles from alcohol Source: Hazardous Substances Data Bank (HSDB)
- Density: 0.860 at 55 °C/4 °C Source: Hazardous Substances Data Bank (HSDB)
- Melting Point: 33.8 °C Source: Hazardous Substances Data Bank (HSDB)
- Melting Point: 33.5 °C Source: Human Metabolome Database (HMDB)
- Physical Description: Large Crystals; Other Solid; Liquid Source: EPA Chemical Data Reporting (CDR)
- Physical Description: Solid; mp = 33.8 deg C; [Merck Index] Fine white crystals; [MSDSonline] Source: Haz-Map, Information on Hazardous Chemicals and Occupational Diseases
- Physical Description: Liquid Source: Human Metabolome Database (HMDB)
- Refractive Index: Index of refraction: 1.4534 at 45 °C/D; 1.44794 at 65 °C/D Source: Hazardous Substances Data Bank (HSDB)
- Solubility: Soluble in ethanol, carbon tetrachloride; very soluble in ethyl ether, methanol Source: Hazardous Substances Data Bank (HSDB)
- Solubility: Insol in water; about 175 g dissolve in 100 ml ethanol; about 160 g dissolve in 100 ml methanol; very sol in ether Source: Hazardous Substances Data Bank (HSDB)
- Vapor Pressure: 0.00000115 [mmHg] Source: Haz-Map, Information on Hazardous Chemicals and Occupational Diseases
- Note: This chemical does not meet GHS hazard criteria for 38.9% (28 of 72) of reports. Source: European Chemicals Agency (ECHA)
- Signal: Warning Source: European Chemicals Agency (ECHA)
- GHS Hazard Statements: H315 (61.1%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (59.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (56.9%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] Source: European Chemicals Agency (ECHA)
- Precautionary Statement Codes: P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement) Source: European Chemicals Agency (ECHA)
- ECHA C&L Notifications Summary: Aggregated GHS information provided per 72 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.; Reported as not meeting GHS hazard criteria per 28 of 72 reports by companies.; There are 5 notifications provided by 44 of 72 reports by companies with hazard statement code(s).; Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. Source: European Chemicals Agency (ECHA)
- Cosmetic Ingredient Review Conclusion: The CIR Expert Panel concluded that the following ingredients are safe in the present practices of use andconcentration described in the safety assessment when formulated to be non-irritating and non-sensitizing, which may be basedon a QRA...Erucic Acid... Source: Cosmetic Ingredient Review (CIR)
- Cosmetic Ingredient Review Finding(s): Safe for use in cosmetics, with qualifications Source: Cosmetic Ingredient Review (CIR)
- Environmental Bioconcentration: An estimated BCF of 3 was calculated in fish for erucic acid(SRC), using an estimated log Kow of 9.69(1) and a regression-derived equation(2). According to a classification scheme(3), this BCF suggests the potential for bioconcentration in aquatic organisms is low(SRC). Source: Hazardous Substances Data Bank (HSDB)
- Environmental Fate: TERRESTRIAL FATE: Based on a classification scheme(1), an estimated Koc value of 135,000 for the free acid(SRC), determined from a structure estimation method(2), indicates that undissociated erucic acid is expected to be immobile in soil(SRC). The estimated pKa of erucic acid is 4.7(3), indicating that this compound will almost entirely exist in the anion form in the environment and anions generally do not adsorb more strongly to soils containing organic carbon and clay than their neutral counterparts(4). Volatilization from moist soil is not an important environmental fate process as the acid is in the anion form and anions do not volatilize. Erucic acid is not expected to volatilize from dry soil surfaces(SRC) based upon an estimated vapor pressure of 1.2X10-6 mm Hg(SRC), determined from a fragment constant method(5). A 4.2-11% of the theoretical BOD using an activated sludge inoculum and the Warburg test (6), suggests that biodegradation may be an important environmental fate process in soil(SRC). Source: Hazardous Substances Data Bank (HSDB)
- Environmental Fate: AQUATIC FATE: Based on a classification scheme(1), an estimated Koc value of 135,000 for the free acid(SRC), determined from a structure estimation method(2), indicates that undissociated erucic acid is expected to adsorb to suspended solids and sediment(SRC). The estimated pKa of 4.7(3) indicates erucic acid will exist almost entirely in the anion form at pH values of 5 to 9 and therefore volatilization from water surfaces is not expected to be an important fate process(4). According to a classification scheme(5), an estimated BCF of 3(SRC), from an estimated log Kow of 9.69(6) and a regression-derived equation(7), suggests the potential for bioconcentration in aquatic organisms is low(SRC). A 4.2-11% of the theoretical BOD using an activated sludge inoculum and the Warburg test (8), suggests that biodegradation may be an important environmental fate process in water(SRC). Source: Hazardous Substances Data Bank (HSDB)
- Environmental Fate: ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), erucic acid, which has an estimated vapor pressure of 1.2X10-6 mm Hg at 25 °C(SRC), determined from a fragment constant method(2), will exist in both the vapor and particulate phases in the ambient atmosphere. Vapor-phase cis- and trans-erucic acid are degraded in the atmosphere by reaction with photochemically-produced hydroxyl radicals(SRC); the half-lives for these reactions in air are estimated to be 4.7 and 4.3 hours(SRC), calculated from rate constants of 8.1X10-11 and 8.9X10-11 cu cm/molecule-sec at 25 °C(SRC) that were derived using a structure estimation method(3). Vapor-phase erucic acid is also degraded in the atmosphere by reaction with ozone(SRC); the half-life for cis-erucic acid and trans-erucic acid reactions in air are estimated to be 2.1 and 1.4 hours(SRC), respectively, calculated from rate constants of 1.3X10-16 and 2.0X10-16 cu cm/molecule-sec at 25 °C(SRC) that were derived using a structure estimation method(3). Particulate-phase erucic acid may be removed from the air by wet or dry deposition(SRC). Erucic acid does not contain chromopho Source: Hazardous Substances Data Bank (HSDB)
- Consumer Uses: Lubricating agent Source: EPA Chemical Data Reporting (CDR)
- Industry Uses: Intermediate; Processing aids not otherwise specified; Lubricating agent Source: EPA Chemical Data Reporting (CDR)
- Cosmetic Ingredient Review Link: CIR ingredient: Erucic Acid Source: Cosmetic Ingredient Review (CIR)
- Sources/Uses: Isolated from the fats and oils of mustard seed, rapeseed, and crambe seed; [Hawley] Used as lubricant additive and chemical intermediate; [HSDB] Source: Haz-Map, Information on Hazardous Chemicals and Occupational Diseases
- Industrial Processes with risk of exposure: Textiles (Fiber & Fabric Manufacturing) [Category: Industry] Source: Haz-Map, Information on Hazardous Chemicals and Occupational Diseases
- Uses: LUBRICANT ADDITIVE; CHEM INT FOR EURCAMIDE, STEARYLEURCAMIDE & DIBASIC ACIDS; POLYETHYLENE FILM ADDITIVE; WATER RESISTANT NYLON ADDITIVE Source: Hazardous Substances Data Bank (HSDB)
- Uses: Preparation of dibasic acids and other chemicals, polyethylene-film additive, water-resistant nylon. Source: Hazardous Substances Data Bank (HSDB)
- Uses: Paints, lacquers and varnishes industry, polymer industry, textile processing industry ... Source: Hazardous Substances Data Bank (HSDB)
Mapped by: Existing checksum-valid CAS to unique PubChem CID match. Retrieved: 2026-08-31. Open source record
Scientific classifications and hazard annotations provide context and do not replace the market-specific regulatory decision shown above.
Additional source coverage and match status
| Source | Result | Checked |
|---|---|---|
| NIH PubChem PUG-View | Exact match | 2026-08-31 |
A recorded no-match is useful evidence that the source was checked; it is not a claim that the substance does not exist elsewhere.
Retrieved from NIH PubChem on 2026-08-31 by checksum-valid CAS matching. Chemical properties do not replace the regulatory decision on this page.