Basic information
- CAS
39252-03-4- Standard SMILES
CCCCCCCC(=O)OCc1ccco1- InChIKey
JNIWCVWKECYDSV-UHFFFAOYSA-N- Molecular formula
- C13H20O3
- Average molar mass
- 224.3 g/mol
- Monoisotopic mass
- 224.1412445
Overview
Furfuryl octanoate is a fatty acid ester.
Names & identifiers
- Preferred name
- Furfuryl octanoate
- IUPAC
- furan-2-ylmethyl octanoate
- English name
- FEMA 3396
- Molecular formula
- C13H20O3
- Molecular weight
- 224.3
Names & synonyms
Furfuryl octanoatefuran-2-ylmethyl octanoateFurfuryl caprylatealpha-Furfuryl octanoate2-Furfuryl octanoateOctanoic acid, 2-furanylmethyl esterOctanoic acid, furfuryl ester2-Furanylmethyl octanoateFEMA No. 3396UNII-24FE04Z37C24FE04Z37CEINECS 254-381-5
Show more names
FEMA 3396FURFURYL OCTANOATE 98+%octanoicacidfurfurylester2-(Furan-2-ylmethyl)octanoateoctanoicacid,2-furanylmethylester
DTXSID8068171.ALPHA.-FURFURYL OCTANOATE.ALPHA.-FURFURYL OCTANOATE [FHFI]RefChem:141804DTXCID8039617254-381-5JNIWCVWKECYDSV-UHFFFAOYSA-N39252-03-4
Database identifiers
- CAS
39252-03-4- PubChem CID
- 61985
- DTXSID
DTXSID8068171- ChEBI
CHEBI:174158- UNII
- 24FE04Z37C
- EC Number
- 254-381-5
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 39.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 9
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 192
Experimental & physicochemical properties
LipidsFatty Acyls [FA] -> Fatty esters [FA07] -> Wax monoesters [FA0701]
SpringerMaterials PropertiesDielectric constant
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.980-0.989
Flavoring AgentsEU Flavoring substances
Solubility
insoluble in water; soluble in oils
miscible (in ethanol)
Boiling Point
139.00 °C. @ 10.00 mm Hg
139 °C (10 mm Hg)
Refractive Index1.456-1.464
Physicochemical properties
- Boiling point
- 139 °C10 · 139 °C10 mm Hg(lit.)
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% (89 of 89) of all reports.
Not Classified
Aggregated GHS information provided per 89 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Chemical: Octanoic acid, 2-furanylmethyl ester
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Octanoic acid, 2-furanylmethyl ester: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesNot Classified
Safety data
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 2932190090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P280-P304+P340-P321
Chemistry & industry
Pharmacology
Cellular LocationsMembrane
Uses & manufacturing
Use Classification
Flavoring Agents -> JECFA Flavorings Index
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
General Manufacturing InformationOctanoic acid, 2-furanylmethyl ester: ACTIVE
Suppliers11 total
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
吉安市国光香料厂18607067153 18607067153
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
四川省维克奇生物科技有限公司028-81700200 18116577057 · [email protected]
桦特昇生物科技（武汉）有限公司027-59207879 1972026995 18140587686 · [email protected]
BOC Sciences[email protected]
上海问彩新材料科技有限公司15721586846 · [email protected]
BOC Sciences+1-631-485-4226 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…