3,7-Dimethyl-2,6-octadienol

HCID 4458CAS 624-15-7
Substructure searchFind similar structures

Basic information

Standard SMILES
CC(C)=CCCC(C)=CCO
InChIKey
GLZPCOQZEFWAFX-UHFFFAOYSA-N
Molecular formula
C10H18O
Average molar mass
154.25 g/mol
Monoisotopic mass
154.1357652

Overview

3,7-dimethylocta-2,6-dien-1-ol has been reported in Eremothecium ashbyi, Boesenbergia rotunda, and other organisms with data available.

Names & identifiers

Preferred name
3,7-Dimethyl-2,6-octadienol
IUPAC
3,7-dimethylocta-2,6-dien-1-ol

Names & synonyms

3,7-Dimethyl-2,6-octadienolDTXSID7041380RefChem:272597DTXCID50213803,7-Dimethyl-2,6-octadien-1-olCitrol68311-14-81-Octanol, 3,7-dimethyl-, tetradehydro deriv.Geraniol PureSpectrum_000401Spectrum2_000784Spectrum3_001450
Show more names
Spectrum4_000441NCIStruc1_000041NCIStruc2_000251SCHEMBL19826KBioGR_000822KBioSS_000881DivK1c_000193SCHEMBL532264

Database identifiers

CAS
624-15-7、68311-14-8
PubChem CID
4458
DTXSID
DTXSID7041380
EC Number
210-831-2、269-750-6

Properties

Computed structural properties

XLogP
2.9
Topological polar surface area
20.2 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
1
Rotatable bonds
4
Heavy atoms
11

Experimental & physicochemical properties

FragrancesFragrance Ingredient (3,7-Dimethyl-2,6-octadien-1-ol) -> IFRA transparency List
LogP3.56

Chemistry & industry

Uses & manufacturing

Use ClassificationFragrance Ingredients
General Manufacturing Information1-Octanol, 3,7-dimethyl-, tetradehydro deriv.: INACTIVE

Related reactions

44 records
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Linked notes

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