노나논(3-)

3-Nonanone

HCID 61235CAS 925-78-0
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
CCCCCCC(=O)CC
InChIKey
IYTXKIXETAELAV-UHFFFAOYSA-N
분자식
C9H18O
평균 분자량
142.24 g/mol
단동위원소 질량
142.1357652

개요

Nonan-3-one is a ketone.

이름 및 식별자

우선 이름
3-Nonanone
IUPAC
nonan-3-one
현지명
노나논(3-)
영어명
3-Nonanone
분자식
C9H18O
분자량
142.24

이름 및 동의어

3-NONANONEnonan-3-oneEthyl hexyl ketone3-Nonanone (natural)FEMA No. 3440UNII-00C380UHNL00C380UHNLFEMA 3440EINECS 213-125-23-NONANONE [FHFI]AI3-36117DTXSID1061289
이름 더 보기
3-노나논노나논(3-)3-노난온3-NONONE3-NonanonNonanon-3Nonan-3-on3-nonylone3-Nonanone>3-Nonanone,99%
3Nonanone (natural)RefChem:95071DTXCID9048801IYTXKIXETAELAV-UHFFFAOYSA-N925-78-0Ethyl n-hexyl ketonen-Hexyl ethyl ketoneMFCD00009541

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP
2.8
극성 표면적
17.1 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
1
회전 가능 결합 수
6
무거운 원자 수
10

실험 및 물리화학적 성질

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

물리화학적 성질

녹는점
-8 °C · -8 °C
끓는 점
187 · 187-188 °C (lit.)
밀도
0.821 g/mL · 0.821 g/mL at 25 °C (lit.)
굴절률
20 · n20/D 1.42(lit.)
FEMA
3440 · 3440 | 3-NONANONE
인화점
154 °F · 154 °F

화학적 성질

3-Nonanone has a pungent, leafy, herbaceous and fruity odor

안전 및 규제

GHS 분류

GHS Classification · 4건

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.

유해성 정보

Regulatory Information · 3건

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%)

독성 정보

Adverse EffectsNeurotoxin - Acute solvent syndrome

안전 데이터

wgk
2
tsca
TSCA listed
ridadr
UN 1993 / PGIII
HS 번호
2914.19.0000
risk_code
36/37/38
hazard_code
Xi

화학 및 산업

약리 정보

Cellular LocationsMembrane

용도 및 제조

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

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavoring Agents -> JECFA Flavorings Index

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

General Manufacturing Information3-Nonanone: ACTIVE
응용 분야 · 3건

개요3-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.

출처Reported found in banana, passion fruit, cooked beef, lemon peel oil, thyme, butter, tea, chervil and crayfish

용도3-Nonanone has been used as internal standard in determination of significant volatile components of pacharan (alcoholic beverage).

제조 방법

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

공급사50 곳

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