Basic information
- CAS
16491-25-1- Standard SMILES
CC=CC=CCOC(=O)CC- InChIKey
ZVBREIRNEOXCKQ-UHFFFAOYSA-N- Molecular formula
- C9H14O2
- Average molar mass
- 154.21 g/mol
- Monoisotopic mass
- 154.09937969
Overview
See also: 2,4-Hexadienyl propionate, (2E,4E)- (annotation moved to).
Names & identifiers
- Preferred name
- 2,4-Hexadien-1-ol, 1-propanoate
- IUPAC
- hexa-2,4-dienyl propanoate
- English name
- 2,4-Hexadienyl propionate
- Molecular formula
- C9H14O2
- Molecular weight
- 154.21
Names & synonyms
2,4-Hexadien-1-ol, propanoate2,4-Hexadien-1-ol propionateNSC 195138AI3-32961RefChem:4438922,4-Hexadien-1-ol, 1-propanoateHexa-2,4-dienyl propionateSCHEMBL4216701DTXSID20864681ZVBREIRNEOXCKQ-UHFFFAOYSA-NNS00053126sorbyl propionate
Show more names
2,4-Hexadienyl propionate2,4-Hexadien-1-olpropanoatePropanoic acid 2,4-hexadienyl ester
Database identifiers
- CAS
16491-25-1- PubChem CID
- 86016
- DTXSID
DTXSID20864681
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 157
Physicochemical properties
- Boiling point
- 120 °C · 120 °C(Press: 28 Torr)
- Density
- 0.918 · 0.918±0.06 g/cm3(Predicted)
- FEMA
- 4131 · 4131 | 2,4-HEXADIENYL PROPIONATE
- Odor
- 100 % · at 100.00 %. sweet fruity tropical pineapple wine
- Odor Type
- fruity
- JECFA Number
- 1781 · 1781
- LogP
- 2.44 · 2.44
- Substances Added to Food (formerly EAFUS)
- 2 · 2,4-HEXADIENYL PROPIONATE
- FDA UNII
- 39 RY6Y5 · CEA39RY6Y5
- EPA Substance Registry System
- 2 · 2,4-Hexadien-1-ol, propanoate (16491-25-1)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory Information
Chemical: 2,4-Hexadien-1-ol, propanoate
2,4-Hexadien-1-ol, propanoate: Does not have an individual approval but may be used under an appropriate group standard
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information2,4-Hexadien-1-ol, 1-propanoate: ACTIVE
Suppliers3 total
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
BOC Sciences[email protected]
上海问彩新材料科技有限公司15721586846 · [email protected]
Additional notes
DefinitionChEBI: 2,4-Hexadienyl propionate is a carboxylic ester.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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