3-ノナノン

3-Nonanone

HCID 61235CAS 925-78-0
部分構造検索類似構造を探す

基本情報

標準SMILES
CCCCCCC(=O)CC
InChIKey
IYTXKIXETAELAV-UHFFFAOYSA-N
分子式
C9H18O
平均分子量
142.24 g/mol
単同位体質量
142.1357652

概要

Nonan-3-one is a ketone.

名称と識別子

優先名称
3-Nonanone
IUPAC
nonan-3-one
現地名
3-ノナノン
英語名
3-Nonanone
分子式
C9H18O
分子量
142.24

名称と別名

3-NONANONEnonan-3-oneEthyl hexyl ketone3-Nonanone (natural)FEMA No. 3440UNII-00C380UHNL00C380UHNLFEMA 3440EINECS 213-125-23-NONANONE [FHFI]AI3-36117DTXSID1061289
名称をさらに表示
3-ノナノンエチルヘキシルケトンノナン-3-オン3-NONONE3-NonanonNonanon-3Nonan-3-on3-nonylone3-Nonanone>3-Nonanone,99%
3Nonanone (natural)RefChem:95071DTXCID9048801IYTXKIXETAELAV-UHFFFAOYSA-N925-78-0Ethyl n-hexyl ketonen-Hexyl ethyl ketoneMFCD00009541

データベース識別子

CAS
925-78-0
PubChem CID
61235
DTXSID
DTXSID1061289
ChEBI
CHEBI:179605
UNII
00C380UHNL
EC Number
213-125-2
Nikkaji
J121.213C

物性

構造計算による物性

XLogP
2.8
極性表面積
17.1 Ų
水素結合供与体数
0
水素結合受容体数
1
回転可能結合数
6
重原子数
10

実験および物理化学的性質

LipidsFatty Acyls [FA] -> Oxygenated hydrocarbons [FA12]
SolventsSolvents -> Ketones (<C12)
SpringerMaterials PropertiesDensity
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.822-0.828 (20 °C)
Flavoring AgentsEU Flavoring substances

物理化学的性質

融点
-8 °C · -8 °C
沸点
187 · 187-188 °C (lit.)
比重(密度)
0.821 g/mL · 0.821 g/mL at 25 °C (lit.)
屈折率
20 · n20/D 1.42(lit.)
FEMA
3440 · 3440 | 3-NONANONE
闪点
154 °F · 154 °F

化学的性質

化学的特性3-Nonanone has a pungent, leafy, herbaceous and fruity odor

安全と法規制

GHS分類

GHS Classification · 4 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)

Aggregated GHS information provided per 1547 reports by companies from 2 notifications to the ECHA C&L Inventory.

危険有害性情報

Regulatory Information · 3 件

Chemical: 3-Nonanone

Regulation (EC) No 1831/2003 (amended)

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

Other Safety InformationIMAP assessments - 3-Nonanone: Environment tier I assessment
Hazards SummarySafe when used as a flavoring agent in food; [JECFA] May cause irritation; [Aldrich MSDS]
Hazard Classes and CategoriesEye Irrit. 2A (100%)

毒性情報

Adverse EffectsNeurotoxin - Acute solvent syndrome

安全データ

wgk
2
tsca
TSCA listed
ridadr
UN 1993 / PGIII
hs_code
2914.19.0000
risk_code
36/37/38
消防法
危-4-2-III

化学と産業

薬理情報

Cellular LocationsMembrane

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-Nonanone: ACTIVE
応用分野 · 3 件

説明3-Nonanone has a pungent, leafy, herbaceous, and fruity odor. May be synthesized by prolonged boiling of 0-propionic acid triethyl ester with excess hexylmagnesium bromide in ether under a nitrogen atmosphere.

天然物の起源Reported found in banana, passion fruit, cooked beef, lemon peel oil, thyme, butter, tea, chervil and crayfish

使用3-Nonanone has been used as internal standard in determination of significant volatile components of pacharan (alcoholic beverage).

調製方法

製造方法By prolonged boiling of o-propionic acid triethyl ester with excess hexylmagnesium bromide in ether under a nitrogen atmosphere

サプライヤー50 社

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
湖南韵邦生物科技股份有限公司85561037 15386497078 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]

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