3-Methyl-2-cyclopenten-1-one

HCID 17691CAS 2758-18-1
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
CC1=CC(=O)CC1
InChIKey
CHCCBPDEADMNCI-UHFFFAOYSA-N
분자식
C6H8O
평균 분자량
96.13 g/mol
단동위원소 질량
96.05751488

개요

3-Methyl-2-cyclopenten-1-one is a cyclic ketone.

이름 및 식별자

우선 이름
3-Methyl-2-cyclopenten-1-one
IUPAC
3-methylcyclopent-2-en-1-one
현지명
3-메틸-2-사이클로펜텐-1-온
영어명
3-Methyl-2-cyclopentenone
분자식
C6H8O
분자량
96.13

이름 및 동의어

3-METHYL-2-CYCLOPENTEN-1-ONE3-methylcyclopent-2-en-1-one3-Methylcyclopent-2-enone2-Cyclopenten-1-one, 3-methyl-3-Methyl-2-cyclopentenone1-Methyl-1-cyclopenten-3-oneFEMA No. 34356V7RSW7273UNII-6V7RSW7273NUSSOLDTXSID1062629EINECS 220-421-5
이름 더 보기
3-메틸-2-사이클로펜텐-1-온Methylcyclopentenone3-METHYL-2-CYCLOPENTENE-1-ONE3-MCP3-Methylcyclopent-2-enon
FEMA 34351-METHYL-1-CYCLOPENTEN-3-ONE [FHFI]RefChem:94731DTXCID6037699CHCCBPDEADMNCI-UHFFFAOYSA-NInChI=1/C6H8O/c1-5-2-3-6(7)4-5/h4H,2-3H2,1H2758-18-1MFCD00001403

데이터베이스 식별자

CAS
2758-18-1
PubChem CID
17691
DTXSID
DTXSID1062629
ChEMBL
CHEMBL290007
ChEBI
CHEBI:179528
UNII
6V7RSW7273
EC Number
220-421-5
Nikkaji
J22.870B

물성

구조 계산 물성

XLogP
0.5
극성 표면적
17.1 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
1
회전 가능 결합 수
0
무거운 원자 수
7

실험 및 물리화학적 성질

SpringerMaterials PropertiesCoriolis coupling
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.968-0.975
Flavoring AgentsEU Flavoring substances
Solubility · 2건

soluble in water; soluble in oil

Miscible at room temperature (in ethanol)

Boiling Point74 °C (15 mm Hg)

물리화학적 성질

녹는점
3 · 3-5 °C (lit.)
끓는 점
74 °C/15 · 74 °C/15 mmHg (lit.)
밀도
0.98 g/mL · 0.980 g/mL at 20 °C 0.971 g/mL at 25 °C (lit.)
굴절률
20 · n20/D 1.488(lit.)
FEMA
3435 · 3435 | 1-METHYL-1-CYCLOPENTEN-3-ONE
인화점
150 °F · 150 °F

화학적 성질

clear light yellow to yellow-brownish liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H227 (20%): Combustible liquid [Warning Flammable liquids]

P210, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 5 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 3건

Chemical: 2-Cyclopenten-1-one, 3-methyl-

Regulation (EC) No 1831/2003 (amended)

2-Cyclopenten-1-one, 3-methyl-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesFlam. Liq. 4 (20%)

안전 데이터

wgk
3
tsca
TSCA listed
ridadr
1224
HS 번호
29142900
risk_code
36/38
safety_code
24/25

화학 및 산업

약리 정보

Cellular LocationsCytoplasm

용도 및 제조

Use Classification · 3건

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavoring Agents -> JECFA Flavorings Index

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

General Manufacturing Information2-Cyclopenten-1-one, 3-methyl-: ACTIVE
응용 분야 · 4건

개요May be prepared by dehydrohalogenation of 2-chloro-l-methylcyclopentan-3-one.

출처Reported found in roasted onion, cooked pork, black tea, soybean and dried bonito

용도It is an important raw material and intermediate used in Organic Synthesis, Pharmaceuticals, Agrochemicals.

일반 설명3-Methyl-2-cyclopenten-1-one is a component of smoke flavoring.

제조 방법

By dehydrohalogenation of 2-chloro-1-methyl-cyclopentan-3-one.

상·하류 제품 정보

공급사50 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
河北创海生物科技有限公司+86-86-13131129325 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]

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