Basic information
- CAS
29957-43-5- Standard SMILES
C=CC(C)(O)C/C=C/C(=C)C- InChIKey
ZJIQIJIQBTVTDY-VOTSOKGWSA-N- Molecular formula
- C10H16O
- Average molar mass
- 152.23 g/mol
- Monoisotopic mass
- 152.12011513
Overview
Hotrienol is a tertiary alcohol.
Names & identifiers
- Preferred name
- 3,7-Dimethylocta-1,5,7-trien-3-ol
- IUPAC
- (5E)-3,7-dimethylocta-1,5,7-trien-3-ol
- English name
- (E)-3,7-dimethylocta-1,5,7-trien-3-ol
- Molecular formula
- C10H16O
- Molecular weight
- 152.23
Names & synonyms
3,7-Dimethyl-1,5,7-octatrien-3-ol29957-43-53,7-Dimethylocta-1,5,7-trien-3-ol(E)-3,7-Dimethylocta-1,5,7-trien-3-ol178N3EI4PV53834-70-13,7-dimethyl-1,5,7-octatriene-3-ol3,7-Dimethyl-1,5,7-octatrien-3-ol (Hotrienol)EINECS 258-818-0UNII-178N3EI4PVEINECS 249-975-6SCHEMBL272375
Show more names
(E)-dehydrolinalool3,7-dimethyl-1,5(E),7-octatrien-3-ol
CHEBI:177384DTXSID801019761GLXC-14022MFCD08235274SBB056434AKOS0242642612,6-dimethyl-1,3,7-octatrien-6-ol1,5,7-octatrien-3-ol, 3,7-dimethyl
Database identifiers
- CAS
29957-43-5、53834-70-1- PubChem CID
- 5366264
- DTXSID
DTXSID801019761- ChEBI
CHEBI:177384- UNII
- 178N3EI4PV
- EC Number
- 249-975-6、258-818-0
- Nikkaji
- J249.896K、J279.518C
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 179
Experimental & physicochemical properties
FragrancesFragrance Ingredient (1,_5,_7-_Octatrien-_3-_ol, 3,_7-_dimethyl-_, (5E)_-) -> IFRA transparency List
Flavoring AgentsEU Flavoring substances
Physicochemical properties
- Boiling point
- 228.4 · 228.4±9.0 °C(Predicted)
- Density
- 0.871 · 0.871±0.06 g/cm3(Predicted)
- FEMA
- 3830 · 3830 | (E,R)-3,7-DIMETHYL-1,5,7-OCTATRIEN-3-OL
- FLAVIS Number
- 2.146 · 02.146 | (E)-3,7-Dimethylocta-1,5,7-trien-3-ol
- pka
- 14.13 · 14.13±0.29(Predicted)
- JECFA Number
- 1154 · 1154
- LogP
- 2.408 · 2.408 (est)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 98.9% (89 of 90) of all reports.
Not Classified
Aggregated GHS information provided per 90 reports by companies from 2 notifications to the ECHA C&L Inventory.
This chemical does not meet GHS hazard criteria for 100% (61 of 61) of all reports.
Not Classified
Aggregated GHS information provided per 61 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory InformationCommission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Hazard Classes and Categories
Not Classified
Not Classified
Chemistry & industry
Uses & manufacturing
Use ClassificationFragrance Ingredients
Upstream & downstream products
Upstream raw materials
Suppliers1 total
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Additional notes
DefinitionChEBI: Hotrienol is a tertiary alcohol.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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