CAS 1565-81-7 3-Decanol (HCID 519158)

概要

Decan-3-ol is a secondary alcohol that is decane substituted by a hydroxy group at position 3. It has a role as an Arabidopsis thaliana metabolite, a pheromone, a flavouring agent and an animal metabolite. It is a decanol and a secondary alcohol.

名称と識別子

優先名称: 3-Decanol
IUPAC: decan-3-ol
現地名: 3-デカノール
英語名: 3-DECANOL
分子式: C10H22O
分子量: 158.28

名称と別名

3-Decanoldecan-3-olEthyl heptyl carbinolHeptyl ethyl carbinolEthyl n-heptyl carbinol3-HYDROXYDECANEFEMA No. 3605UNII-WTY84QBP4TWTY84QBP4TDL-DECAN-3-OL3-DECANOL [FHFI]1-ETHYL-1-OCTANOL

名称をさらに表示

3-デカノールデカン-3-オール3-Decanoi3-Decanol>3-HYDROXYDECANE3-DECYL ALCOHOLETHYLHEPTYLCARBINOLETHYL-N-HEPTYLCARBINOL3-Decyl Alcohol Ethylheptylcarbinol

AI3-19948DTXSID50862695FEMA 3605RefChem:93621(+-)-3-DECANOLDTXCID908114253-DECANOL, (+-)-605-062-8

データベース識別子

CAS: 1565-81-7
PubChem CID: 519158
DTXSID: DTXSID50862695
ChEBI: CHEBI:195405
UNII: WTY84QBP4T
EC Number: 605-062-8
Nikkaji: J80.234D

物性

構造計算による物性

XLogP: 3.9
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: 7
重原子数: 11
形式電荷: 0
複雑度: 71.3

実験および物理化学的性質

LipidsFatty Acyls [FA] -> Fatty alcohols [FA05]

SolventsSolvents -> Alcohols (<C12)

SpringerMaterials PropertiesDensity

Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food

Density0.826-0.832

Flavoring AgentsEU Flavoring substances

物理化学的性質

融点: -5 °C · -5°C
沸点: 98 · 98-99°C 11mm
比重(密度): 0 · 0,83 g/cm3
屈折率: 1.4345 · 1.4345
FEMA: 3605 · 3605 | 3-DECANOL
闪点: 99 °C · 99°C
外見: solid
酸解離定数(Pka): 15.33 · 15.33±0.20(Predicted)
臭い (Odor): 100 %で。花の脂肪の多いオレンジ色のカビの生えたキノコ · 100.00%で。花の脂肪の多いオレンジ色のカビの生えたキノコ
においのタイプ: 花柄
JECFA Number: 295 · 295
BRN: 1719658 · 1719658
Henry's Law Constant: 3.8 · 3.8×10-2 mol/(m3Pa) at 25℃, Yaws (2003)
InChI: 1S/C10H22O/c1-3-5-6-7-8-9-10(11)4-2/h10-11H,3-9H2,1-2H3
InChIKey: ICEQLCZWZXUUIJ-UHFFFAOYSA-N
SMILES: CCCCCCCC(O)CC
LogP: 3.88 · 3.88
CAS データベース: 1565 · 1565-81-7(CAS DataBase Reference)
EPAの化学物質情報: 3 · 3-Decanol (1565-81-7)

化学的性質

化学的特性3-Decanal has an orange, fatty, musty, mushroom-like odor.

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Not Classified

危険有害性情報

Regulatory Information · 3 件

Chemical: 3-Decanol

PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

3-Decanol: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationEvaluation - Chemicals that are unlikely to require further regulation to manage risks to environment

Hazards SummarySafe when used as a flavoring agent in food; [JECFA] An irritant; [Alfa Aesar MSDS] See 1-Decanol.

Hazard Classes and CategoriesEye Irrit. 2 (100%)

毒性情報

Adverse EffectsNeurotoxin - Acute solvent syndrome

安全データ

wgk: WGK 3
tsca: TSCA listed
risk_code: 36/37/38-20/21/22
hazard_code: Xn,Xi
safety_code: 26-37-37/39-36
ストレージクラス: 11 - Combustible Solids

化学と産業

用途と製造

UsesUsed as flavoring agent or adjuvant; [FDA]

Use Classification · 3 件

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavoring Agents -> JECFA Flavorings Index

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

General Manufacturing Information3-Decanol: ACTIVE

応用分野

天然物の起源Reported found in mint, French fried potato and spearmint oil.

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化合物ノート

読み込み中…

3-デカノール

基本情報

概要