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

HCID 439223CAS 51411-24-6

部分構造検索類似構造を探す

基本情報

標準SMILES: CC(C)=CCCC(C)=CCCC(C)CCO
InChIKey: OOOOFOPLSIWRAR-UHFFFAOYSA-N
分子式: C15H28O
平均分子量: 224.38 g/mol
単同位体質量: 224.21401552

概要

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

名称と識別子

優先名称: 6,10-Dodecadien-1-ol, 3,7,11-trimethyl-
IUPAC: 3,7,11-trimethyldodeca-6,10-dien-1-ol

名称と別名

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

名称をさらに表示

DB-240807

データベース識別子

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

物性

構造計算による物性

XLogP: 5.1
極性表面積: 20.2 Å²
水素結合供与体数: 1
水素結合受容体数: 1
回転可能結合数: 8
重原子数: 16
形式電荷: 0
複雑度: 222

実験および物理化学的性質

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 件

Insoluble in water; soluble in DMSO and acetone

Soluble (in ethanol)

Boiling Point301-302 °C

安全と法規制

GHS分類

GHS ClassificationNot Classified

危険有害性情報

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

化学と産業

薬理情報

Cellular LocationsExtracellular

用途と製造

UsesUsed as flavoring agent or adjuvant; [FDA]

Use Classification · 3 件

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