Basic information
- CAS
57648-55-2- Standard SMILES
CCCC/C=C/C(C)O- InChIKey
YJJIVDCKSZMHGZ-VOTSOKGWSA-N- Molecular formula
- C8H16O
- Average molar mass
- 128.21 g/mol
- Monoisotopic mass
- 128.12011513
Overview
Trans-3-Octen-2-ol is an aliphatic alcohol.
Names & identifiers
- Preferred name
- 3-Octen-2-ol, (3E)-
- IUPAC
- (E)-oct-3-en-2-ol
- English name
- 3-OCTEN-2-OL
- Molecular formula
- C8H16O
- Molecular weight
- 128.21
Names & synonyms
trans-3-Octen-2-ol57648-55-2(3E)-oct-3-en-2-ol3-Octen-2-ol, (E)-3-Octen-2-ol, (3E)-(E)-3-Octen-2-ol3-Octen-2-ol, trans-48L416E22QNSC-244893NSC-245471NSC-245472DTXSID101316025
Show more names
FEMA 36023-OCTEN-2-OLtrans-3-Octen-2-ol>TRANS-2-HYDROXY-3-OCTENE
NSC 244893NSC 245471NSC 245472RefChem:504563DTXCID80910032(+-)-3-OCTEN-2-OL, (3E)-(E)-oct-3-en-2-olFEMA No. 3602
Database identifiers
- CAS
57648-55-2、76649-14-4- PubChem CID
- 5358336
- DTXSID
DTXSID101316025- ChEBI
CHEBI:168329- UNII
- 48L416E22Q
- Nikkaji
- J126.478H、J267.443B
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 76.6
Experimental & physicochemical properties
LipidsFatty Acyls [FA] -> Fatty alcohols [FA05]
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Physicochemical properties
- Boiling point
- 82.5 · 82.5-83.0 °C(Press: 15 Torr)
- Density
- 0.85 · 0.85
- pka
- 14.517 · 14.517±0.20(predicted)
- JECFA Number
- 1140 · 1140
- Substances Added to Food (formerly EAFUS)
- -3 · TRANS-3-OCTEN-2-OL
- FDA UNII
- 48 L416E22Q · 48L416E22Q
Chemistry & industry
Pharmacology
Cellular LocationsExtracellular
Suppliers13 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
山东西亚化学有限公司13355009207 13355009207 · [email protected]
玛雅试剂+86 (573) 82222445 (0)18006601000 452520369 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 13913916777 · [email protected]
九鼎化学（上海）科技有限公司4009209199 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
北京迈瑞达科技有限公司010-82387566 18001021521 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
TCI Chemicals (India) Pvt. Ltd.[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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