Completing data — usually done within a minute
Basic information
- Standard SMILES
C=CC(CCCCC)OC(=O)CCC- InChIKey
LZWFXVJBIZIHCH-UHFFFAOYSA-N- Molecular formula
- C12H22O2
- Average molar mass
- 198.306 g/mol
- Monoisotopic mass
- 198.16197994
Names & identifiers
- Preferred name
- 1-Octen-3-yl butyrate
- IUPAC
- Oct-1-en-3-yl butanoate
- English name
- 1-Octen-3-yl butyrate
- Molecular formula
- C12H22O2
- Molecular weight
- 198.3
Names & synonyms
FEMA 3612oct-1-en-3-yl butanoateEINECS 240-555-81-octene-3-butyrate1-octen-3-olbutyrate1-pentylallylbutyratel-Octen-3-yl butyrate1-Octen-3-yl butyrate1-OCTEN-3-YLBUTYRATEFCC1-Caprylene-yl butyrate
Database identifiers
- CAS
164578-37-4、16491-54-6- PubChem CID
- 27892
- DTXSID
DTXSID80864682- ChEBI
CHEBI:169568- UNII
- H8J989X4KJ
- EC Number
- 240-555-8、605-367-6
- Nikkaji
- J67.416H
Properties
Physicochemical properties
- Melting point
- 225 · 225-229 °C(lit.)
- Density
- 0.87 g/mL · 0.87 g/mL at 25 °C (lit.)
- FLAVIS Number
- 9.282 · 09.282 | Oct-1-en-3-yl butyrate
- refractive index
- 20 · n20/D 1.4295(lit.)
- FEMA
- 3612 · 3612 | 1-OCTEN-3-YL BUTYRATE
- Flash point
- 210 °F · 210 °F
- Odor
- 10 % · at 10.00 % in dipropylene glycol. fruity floral orchid waxy green privet watery metallic mushroom buttery
- Odor Type
- mushroom
- biological source
- synthetic
- JECFA Number
- 1837 · 1837
- Boiling point
- 225 · 225-229°C(lit.)
- Major Application
- flavors and fragrances
- InChI
- 1S/C12H22O2/c1-4-7-8-10-11(6-3)14-12(13)9-5-2/h6,11H,3-5,7-10H2,1-2H3
- InChIKey
- LZWFXVJBIZIHCH-UHFFFAOYSA-N
- SMILES
- CCCCCC(OC(=O)CCC)C=C
- LogP
- 4.53 · 4.53
- Substances Added to Food (formerly EAFUS)
- 1 · 1-OCTEN-3-YL BUTYRATE
- FDA UNII
- 8 J989X4KJ · H8J989X4KJ
- EPA Substance Registry System
- 1 · 1-Vinylhexyl butyrate (16491-54-6)
- UNSPSC Code
- 12164502 · 12164502
- PPE
- Eyeshields, Gloves
- WGK Germany
- 2 · 2
- RTECS
- 7030000 · ET7030000
- TSCA
- TSCA listed
- Storage Class
- 10 · 10 - Combustible liquids
Safety & regulation
Safety data
- PPE
- Eyeshields, Gloves
- wgk
- 2
- tsca
- TSCA listed
- rtecs
- ET7030000
- Storage Class
- 10 - Combustible liquids
Chemistry & industry
Applications
Descriptionl-Octen-3-yl butyrate has a fruity, buttery, strawberry, mushroom odor.
OccurrenceReported found in passion fruit, lemon peel oil and lavender oil.
UsesGB 2760-1996 specifies 1-OCTEN-3-YL BUTYRATE as a permitted edible flavoring. It is mainly used in the formulation of mushroom-type flavorings.
General DescriptionNatural occurrence: Passion fruit.
Upstream & downstream products
Upstream raw materials
Suppliers8 total
南京艾比克斯生化科技有限公司025-87193546 18652950785 · [email protected]
career henan chemical co+86-0371-86658258 · [email protected]
Leading Chemical and Trading Co.,Ltd+86-15669938129 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
SHANGHAI KEAN TECHNOLOGY CO., LTD.+8613817748580 · [email protected]
Hefei TNJ Chemical Industry Co.,Ltd.+86-0551-65418684 +86-18949823763 · [email protected]
AFINE CHEMICALS LIMITED+86-571-85134551 +86-18958018566 · [email protected]
Henan Fengda Chemical Co., Ltd+86-371-86557731 +86-13613820652 · [email protected]
Additional notes
DefinitionChEBI: 1-Ethenylhexyl butanoate is a fatty acid ester.
Related reactions
0 records
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Linked notes
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