Basic information
- CAS
2306-92-5- Standard SMILES
CCCCCCCCCC(=O)OCCCCCCCC- InChIKey
HRPZGPXWSVHWPB-UHFFFAOYSA-N- Molecular formula
- C18H36O2
- Average molar mass
- 284.5 g/mol
- Monoisotopic mass
- 284.27153039
Overview
Octyl decanoate is a carboxylic ester.
Names & identifiers
- Preferred name
- Octyl caprate
- IUPAC
- octyl decanoate
- English name
- OCTYL CAPRATE
- Molecular formula
- C18H36O2
- Molecular weight
- 284.48
Names & synonyms
Octyl decanoateOctyl caprate2306-92-5Decanoic acid, octyl esterVX4042MLV4CAPRYLYL CAPRATEEINECS 218-983-11-OCTYL DECANOATEDTXSID2062321WE(8:0/10:0)RefChem:856085DTXCID9036802
Show more names
Capric acid octyl ester
218-983-1octyldecanoateUNII-VX4042MLV4n-Octyl decanoateOctyl decanoate #SCHEMBL333589orb1695823SCHEMBL7838810
Database identifiers
- CAS
2306-92-5- PubChem CID
- 75321
- DTXSID
DTXSID2062321- ChEBI
CHEBI:196217- UNII
- VX4042MLV4
- EC Number
- 218-983-1
- Nikkaji
- J115.104E
Properties
Computed structural properties
- XLogP
- 7.6
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 16
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 202
Experimental & physicochemical properties
LipidsFatty Acyls [FA] -> Fatty esters [FA07] -> Wax monoesters [FA0701]
Physicochemical properties
- Melting point
- -0.7 °C · -0.7 °C
- Boiling point
- 130 °C · 130 °C
- Density
- 0.864 · 0.864±0.06 g/cm3(Predicted)
- Odor
- 100 % · at 100.00 %. mild fatty waxy
- Odor Type
- fatty
- LogP
- 7.918 · 7.918 (est)
- FDA UNII
- 4042 MLV4 · VX4042MLV4
- EPA Substance Registry System
- Decanoic acid, octyl ester (2306-92-5)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- TSCA
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 100% (22 of 22) of all reports.
Not Classified
Aggregated GHS information provided per 22 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Chemical: Decanoic acid, octyl ester
Decanoic acid, octyl ester: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationEvaluation - Chemicals that are unlikely to require further regulation to manage risks to human health
Hazard Classes and CategoriesNot Classified
Safety data
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationDecanoic acid, octyl ester: ACTIVE
Suppliers17 total
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
吉良化学21-62165282 · [email protected]
TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]
上海创焰化学科技有限公司021-11111111 11111111111 · [email protected]
石家庄元冲生物科技有限公司+86-18033710157 18033710157 · [email protected]
安那莱（齐河）新材料科技有限公司18600642180（微信同） 13391601435 · [email protected]
上海麦克林生化科技股份有限公司50706066 15221275939 · [email protected]
BOC Sciences[email protected]
Shaanxi Dideu New Materials Co. Ltd18192503167 · [email protected]
上海问彩新材料科技有限公司15721586846 · [email protected]
陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]
BOC Sciences+1-631-485-4226 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…