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erucic acid

CAS 112-86-7C22H42O2MW 338.32 g/mol

erucic acid (CAS 112-86-7) — formula C22H42O2, molecular weight 338.32 g/mol; category fine chemicals.

Product Overview

CAS Number112-86-7
Molecular FormulaC22H42O2
Molecular Weight338.32 g/mol
Melting Point33.8 °C
Boiling Point265 °C at 15 mm Hg
LogP8.7
CategoryBasic Chemical Raw Materials

Technical Profile

What this product is

erucic acid is a high-value fine compound with CAS registry number 112-86-7 and molecular formula C22H42O2 (molecular weight 338.32 g/mol), belonging to the fine chemicals segment of chemical raw materials.

Identification

CAS number: 112-86-7

Its molecular formula C22H42O2 comprises 22 C, 42 H, 2 O atoms.

Also known as: erucic acid · 芥酸

Category: fine chemicals

Frequently Asked Questions

What is the CAS number of erucic acid?

The CAS registry number of erucic acid is 112-86-7.

What is the molecular formula and molecular weight of erucic acid?

Molecular formula C22H42O2, molecular weight 338.32 g/mol.

What other names is erucic acid known by?

It is also registered under: erucic acid, 芥酸.

Which category does erucic acid belong to?

Category: Basic Chemical Raw Materials.

PubChem Public Data

Independent reference data for erucic acid (CAS 112-86-7), compiled from public chemistry databases.

Registry identifiers across databases

CAS Registry Number112-86-7
PubChem CID5281116
Molecular formulaC22H42O2
Molecular weight338.32 g/mol
IUPAC name(Z)-docos-13-enoic acid
InChIKeyDPUOLQHDNGRHBS-KTKRTIGZSA-N
UNII (FDA)075441GMF2
ChEBI IDCHEBI:28792

Computed descriptors

Molecular Weight338.6
XLogP38.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count19
Exact Mass338.318480578
Monoisotopic Mass338.318480578
Topological Polar Surface Area37.3
Heavy Atom Count24

Physicochemical values on record

Boiling Point265 °C at 15 mm Hg
Melting Point33.8 °C
Melting Point33.5 °C
Density0.860 at 55 °C/4 °C
Vapor Pressure0.00000115 [mmHg]

Documented uses on record

    Isolated from the fats and oils of mustard seed, rapeseed, and crambe seed; [Hawley] Used as lubricant additive and chemical intermediate; [HSDB]Textiles (Fiber & Fabric Manufacturing) [Category: Industry]

    Synonyms and trade names

    ERUCIC ACID; 112-86-7; (Z)-Docos-13-enoic acid; cis-13-Docosenoic acid; 13-cis-Docosenoic acid; Hystrene 2290; 13-Docosenoic acid, (Z)-; 13-Docosenoic acid, (13Z)-; 13Z-docosenoic acid; Prifrac 2990; Z-13-Docosenoic acid; delta13-cis-Docosenoic acid; DTXSID8026931; (13Z)-Docosenoic acid; C22:1n-9; DTXCID706931

    Regulatory listings held on file

    Regulatory & Food ContactCIR / INCI: Cosmetic ingredients (Erucic Acid) -> CIR (Cosmetic Ingredient Review)
    GHS notification summary38.9% (28 / 72)

    GHS hazard classification

    GHS notification summary38.9% (28 / 72)
    Reported hazard statementsH315 (61.1%), H319 (59.7%), H335 (56.9%)

    This chemical does not meet GHS hazard criteria for 38.9% (28 of 72) of reports.

    H315 (61.1%): Causes skin irritation [Warning Skin corrosion/irritation]

    What the public record says

    erucic acid is identified by CAS 112-86-7, molecular formula C22H42O2 and molecular weight 338.32 g/mol. UNII 075441GMF2; ChEBI 28792; InChIKey DPUOLQHDNGRHBS-KTKRTIGZSA-N. Boiling Point: 265 °C at 15 mm Hg; Melting Point: 33.8 °C; Melting Point: 33.5 °C.

    Physical description and handling notes

    Source: PubChem / Wikidata; the batch COA governs where values differ.

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Supplier: Jinan Shenghe Chemical Co., Ltd.

中文页面: 芥酸

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