Basic information
- CAS
13019-16-4- Standard SMILES
CCCCCC=C(C=O)CCCC- InChIKey
LYGMPIZYNJGJKP-UHFFFAOYSA-N- Molecular formula
- C12H22O
- Average molar mass
- 182.3 g/mol
- Monoisotopic mass
- 182.16706532
Overview
2-Butyl-2-octenal has been reported in Pyrus pyrifolia with data available.
Names & identifiers
- Preferred name
- Butyloctenal
- IUPAC
- 2-butyloct-2-enal
- English name
- (E)-2-butyloct-2-enal
- Molecular formula
- C12H22O
- Molecular weight
- 182.3
Names & synonyms
ButyloctenalSCHEMBL730613LYGMPIZYNJGJKP-UHFFFAOYSA-NAKOS030227977DB-313834NS000961552-Octenal, 2-butyl-2-Butyl-2-octenal2-Butyloct-2-enal2-HEXYLIDENEHEXANAL2-n-Butyloct-2-enal2-Butyl-2-octen-1-al
Show more names
(E)-2-butyloct-2-enal
Database identifiers
- CAS
13019-16-4- PubChem CID
- 25610
- DTXSID
DTXSID20864348
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 8
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 147
Physicochemical properties
- Boiling point
- 263 ℃ · 263℃
- Density
- 0.838 · 0.838
- FEMA
- 4616 · 4616 | 2-HEXYLIDENEHEXANAL
- Flash point
- 81 ℃ · 81℃
- storage temp.
- -20 °C · Inert atmosphere,Store in freezer, under -20°C
- Odor
- 100 % · at 100.00 %. aldehydic green watery fruity metallic oily tropical fatty sweaty goaty
- Odor Type
- green
- biological source
- botanical
- Major Application
- flavors and fragrances
- InChI
- 1S/C12H22O/c1-3-5-7-8-10-12(11-13)9-6-4-2/h10-11H,3-9H2,1-2H3/b12-10+
- InChIKey
- LYGMPIZYNJGJKP-ZRDIBKRKSA-N
- SMILES
- O=C\C(=C\CCCCC)\CCCC
- LogP
- 4.79 · 4.79
- Substances Added to Food (formerly EAFUS)
- 2 · 2-HEXYLIDENEHEXANAL
- FDA UNII
- 49 D14RAJ7M · 49D14RAJ7M
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- WGK 3
- Storage Class
- 10 - Combustible liquids
Chemistry & industry
Applications
Usesflavors and fragrances
Suppliers17 total
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
Aladdin Scientific[email protected]
石家庄利达化学品有限公司+86 (311) 8573-7996 · [email protected]
JINING XINHE CHEMICAL CO., LTD+8615318402391 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
陕西缔都医药化工有限公司029-029-81120477 17792793610 · [email protected]
成都标样生物科技有限公司028-81700200 13308200041 · [email protected]
Shanghai Acmec Biochemical Technology Co., Ltd.+86-18621343501 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 13913916777 · [email protected]
上海吉至生化科技有限公司021-4009004166/18616739031 18616739031 · [email protected]
Related reactions
1 records
Compound notes
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