6,10-Dodecadien-1-ol, 3,7,11-trimethyl-

HCID 439223
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Substructure searchFind similar structures

Basic information

CAS
51411-24-6
Standard SMILES
CC(C)=CCCC(C)=CCCC(C)CCO
InChIKey
OOOOFOPLSIWRAR-UHFFFAOYSA-N
Molecular formula
C15H28O
Average molar mass
224.38 g/mol
Monoisotopic mass
224.21401552

Overview

6,10-Dodecadien-1-ol, 3,7,11-trimethyl- has been reported in Achillea distans with data available.

Names & identifiers

Preferred name
6,10-Dodecadien-1-ol, 3,7,11-trimethyl-
IUPAC
3,7,11-trimethyldodeca-6,10-dien-1-ol
English name
(+/-)DIHYDRAFARNESOL
Molecular formula
C15H28O
Molecular weight
224.38

Names & synonyms

51411-24-6DTXSID408859546,10-Dodecadien-1-ol, 3,7,11-trimethyl-RefChem:103697DTXCID501025309610-659-1(6E)-3,7,11-trimethyldodeca-6,10-dien-1-ol3,7,11-trimethyldodeca-6,10-dien-1-ol2,3-Dihydrofarnesol3,7,11-trimethyl-6,10-dodecadien-1-olSCHEMBL509821OOOOFOPLSIWRAR-UHFFFAOYSA-N
Show more names
(+/-)DIHYDRAFARNESOL(+/-)DIHYDRAFARNESOL(+/-)-DIHYDROFARNESOL2,3-dihydro-6(Z)-farnesol(E)-3,7,11-Trimethyl-6,10-dodecadien-1-ol(E)-3,7,11-Trimethyldodeca-6,10-dien-1-ol(S,E)-3,7,11-Trimethyldodeca-6,10-dien-1-ol
DB-240807

Database identifiers

CAS
51411-24-6
PubChem CID
439223
DTXSID
DTXSID40885954
EC Number
610-659-1

Properties

Computed structural properties

XLogP
5.1
Topological polar surface area
20.2 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
1
Rotatable bonds
8
Heavy atoms
16

Experimental & physicochemical properties

PolymersOther Classes -> Alcohols and Polyols, Other
FragrancesFragrance Ingredient ((+/-)-Dihydrofarnesol) -> IFRA transparency List
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.867-0.873
Solubility · 2 items

Insoluble in water; soluble in DMSO and acetone

Soluble (in ethanol)

Boiling Point301-302 °C

Physicochemical properties

Boiling point
307.8 · 307.8±11.0 °C(Predicted)
Density
0.86 · 0.860±0.06 g/cm3(Predicted)
FEMA
4031 · 4031 | (+/-)-DIHYDROFARNESOL
storage temp.
Refrigerator
solubility
Chloroform (Slightly), Methanol (Slightly)
pka
15.12 · 15.12±0.10(Predicted)

Safety & regulation

GHS classification

GHS ClassificationNot Classified

Hazard information

Regulatory InformationPMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Hazards SummarySafe when used as a flavoring agent in food; [JECFA]
Hazard Classes and CategoriesNot Classified

Safety data

tsca
TSCA listed

Chemistry & industry

Pharmacology

Cellular LocationsExtracellular

Uses & manufacturing

UsesUsed as flavoring agent or adjuvant; [FDA]
Use Classification · 3 items

Fragrance Ingredients

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavoring Agents -> JECFA Flavorings Index

General Manufacturing Information6,10-Dodecadien-1-ol, 3,7,11-trimethyl-: ACTIVE

Applications

OccurrenceReportedly present in tequila, marine brouno and red algae

Uses(E)-3,7,11-Trimethyldodeca-6,10-dien-1-ol dermatophytes inhibits the growth of dermatophytes.

Preparation methods

PreparationPrepared in a patented process by selectively hydrogenating farnesol in the presence of a catalyst.

Suppliers5 total

梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
常州安奈凯医药科技有限公司+86-0519-8359-8696 · [email protected]
艾吉析科技（上海）有限公司17721401538;17717235263 17721401538 · [email protected]
武汉柔博医药化工有限公司027-027-87827088 18986164924 · [email protected]
湖北东曹化学科技有限公司027-83238443 13343438265 · [email protected]

Related reactions

2 records
New reaction record

Compound notes

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