Basic information
- CAS
2371-13-3- Standard SMILES
CCCCCC=CCOC(C)=O- InChIKey
MBRLTLPMVMFRTJ-UHFFFAOYSA-N- Molecular formula
- C10H18O2
- Average molar mass
- 170.25 g/mol
- Monoisotopic mass
- 170.13067982
Overview
See also: 2-Octen-1-yl acetate, (2E)- (annotation moved to).
Names & identifiers
- Preferred name
- Oct-2-enyl acetate
- IUPAC
- oct-2-enyl acetate
- English name
- (E)-2-octen-1-yl acetate
- Molecular formula
- C10H18O2
- Molecular weight
- 170.25
Names & synonyms
Oct-2-enyl acetateRefChem:855403219-140-02371-13-31-acetoxyoct-2-eneoct-2-en-1-yl acetateSCHEMBL1302239NS00083637FEMA 35162-Octen-1-yl acetateAi3-34407Fema no. 3516
Show more names
2-OCTENYLACETATEEinecs 219-140-0(E)-2-Octenyl acetate2-Octen-1-ol, acetate
Database identifiers
- CAS
2371-13-3、3913-80-2- PubChem CID
- 102248
- DTXSID
DTXSID40862907- EC Number
- 219-140-0
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 7
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 139
Experimental & physicochemical properties
FragrancesFragrance Ingredient (2-_Octen-_1-_ol, 1-_acetate) -> IFRA transparency List
Density0.894-0.900
Flavoring AgentsEU Flavoring substances
Solubility
Soluble in fats; Insoluble in water
Soluble (in ethanol)
Boiling Point88-89 °C (8 mm Hg)
Refractive Index1.430-1.436
Physical DescriptionColourless liquid; Fruity aroma
Physicochemical properties
- FEMA
- 3516 · 3516 | TRANS-2-OCTEN-1-YL ACETATE
- Odor
- 10 % · at 10.00 % in dipropylene glycol. melon pear tropical earthy
- Odor Type
- melon
- JECFA Number
- 1367 · 1367
- LogP
- 3.64 · 3.640 (est)
- EPA Substance Registry System
- 2 · 2-Octen-1-ol, acetate (2371-13-3)
- TSCA
- TSCA listed
Safety & regulation
Hazard information
Regulatory InformationCommission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
Use Classification
Fragrance Ingredients
Flavoring Agents -> JECFA Flavorings Index
Upstream & downstream products
Downstream products
Suppliers5 total
深圳市丽晶生化科技有限公司0755-85201366 18938635012 · [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]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Additional notes
DefinitionChEBI: 2E-Octenyl acetate is a carboxylic ester.
Related reactions
1 records
Compound notes
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