Decanoic acid, 2-octyl-

HCID 69271CAS 619-39-6
Substructure searchFind similar structures

Basic information

Standard SMILES
CCCCCCCCC(CCCCCCCC)C(=O)O
InChIKey
OYYXZGFIZTYYRB-UHFFFAOYSA-N
Molecular formula
C18H36O2
Average molar mass
284.5 g/mol
Monoisotopic mass
284.27153039

Names & identifiers

Preferred name
Decanoic acid, 2-octyl-
IUPAC
2-octyldecanoic acid
English name
2-octyldecanoic acid
Molecular formula
C18H36O2
Molecular weight
284.48

Names & synonyms

2-Octyldecanoic acidDecanoic acid, 2-octyl-EINECS 210-594-5DTXSID2060701RefChem:131194DTXCID6043173210-594-5619-39-6MFCD005066232-Octydecanoic acid2-octyl-decanoic acidSCHEMBL987456
Show more names
2-octylcapric acidDioctylacetic acid
orb1986155SCHEMBL28466819AAA61939AKOS024274097AS-76909BP-26118ST002892SY521843

Database identifiers

CAS
619-39-6
PubChem CID
69271
DTXSID
DTXSID2060701
EC Number
210-594-5
Nikkaji
J136.502I

Properties

Computed structural properties

XLogP
7.5
Topological polar surface area
37.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
15
Heavy atoms
20

Experimental & physicochemical properties

SpringerMaterials PropertiesSurface tension

Physicochemical properties

Melting point
38.5 °C · 38.5°C
Boiling point
369.53 °C · 369.53°C (estimate)
Density
0.8833 · 0.8833 (rough estimate)
refractive index
1.443 · 1.4430 (estimate)
pka
4.82 · 4.82±0.40(Predicted)
form
38.5 °C · 38.5°C Liquid

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

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)

Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

tsca
TSCA listed
Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H315-H319-H335
Precautionary statements
P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationDecanoic acid, 2-octyl-: INACTIVE

Applications

Uses2-Octyldecanoic acid (Octyldecanoic acid) is a saturated fatty acid with a long aliphatic tail consisting of 17 carbon atoms and a carboxylic acid group.

Suppliers42 total

上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
南京腾怡生物科技有限公司17714337195 · [email protected]
广东云星生物技术有限公司0751-18902340975/189023400307 18902340307 · [email protected]

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