3-메틸-1,2-사이클로펜탄디온

3-Methyl-1,2-cyclopentanedione

HCID 61209CAS 765-70-8
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
CC1CCC(=O)C1=O
InChIKey
OACYKCIZDVVNJL-UHFFFAOYSA-N
분자식
C6H8O2
평균 분자량
112.13 g/mol
단동위원소 질량
112.0524295

개요

3-Methyl-1,2-cyclopentanedione is a cyclic ketone.

이름 및 식별자

우선 이름
3-Methyl-1,2-cyclopentanedione
IUPAC
3-methylcyclopentane-1,2-dione
현지명
3-메틸-1,2-사이클로펜탄디온
영어명
3-Methyl-1,2-cyclopentanedione
분자식
C6H8O2
분자량
112.13

이름 및 동의어

765-70-83-Methyl-1,2-cyclopentanedione1,2-CYCLOPENTANEDIONE, 3-METHYL-DTXSID3047716DTXCID2027709RefChem:503360Methylcyclopentenolone (diketo2-hydroxy-3-methylcyclopent-2-en-1-one; 3-methylcyclopentane-1,2-dione212-154-83-Methylcyclopentane-1,2-dioneMFCD00001417Methylcyclopentenolone (diketo form)
이름 더 보기
3-메틸-1,2-사이클로펜탄디온MCPMAPLE LACTONE2-HYDROXY-3-METHYL-2-CYCLOPENTEN-1-ONE2-HYDROXY-3-METHYL-2-CYCLOPENTENONE3-Methylcyclopenta-1,2-dione3-Methyl-1,2-cyclopentadione2-Cyclopentanedione,3-methyl-1
EINECS 212-154-8methyl-cyclopentenolone3-Methyl-1.2-cyclopentanedioneFEMA 2700CHEBI:173373AKOS0168439423-Methyl-1,2-cyclopentanedione, 99%Methylcyclopentenolone (natural)

데이터베이스 식별자

CAS
765-70-8
PubChem CID
61209
DTXSID
DTXSID3047716
ChEMBL
CHEMBL371371
ChEBI
CHEBI:173373
EC Number
212-154-8
Nikkaji
J193.136I

물성

구조 계산 물성

XLogP
0.2
극성 표면적
34.1 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
2
회전 가능 결합 수
0
무거운 원자 수
8

실험 및 물리화학적 성질

Chemical ClassesOther Classes -> Aliphatic Ketones, Other
FragrancesFragrance Ingredient (3-Methylcyclopentane-1,2-dione) -> IFRA transparency List
Melting Point106.5 - 107 °C
Physical Description · 2건

Off-white crystalline powder; [Alfa Aesar MSDS]

Solid

물리화학적 성질

녹는점
104 · 104-108 °C(lit.)
끓는 점
170.05 °C · 170.05°C (rough estimate)
밀도
1.0795 · 1.0795 (rough estimate)
굴절률
1.455 · 1.4550 (estimate)
FEMA
2700 · 2700 | METHYLCYCLOPENTENOLONE
인화점
100 °C · 100 °C

화학적 성질

WHITE TO OFF-WHITE POWDER

안전 및 규제

GHS 분류

GHS Classification · 3건

This chemical does not meet GHS hazard criteria for 99% (206 of 208) of all reports.

Not Classified

Aggregated GHS information provided per 208 reports by companies from 3 notifications to the ECHA C&L Inventory.

유해성 정보

Regulatory Information · 2건

Chemical: 1,2-Cyclopentanedione, 3-methyl-

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

Hazards SummarySafe when used as a flavoring agent in food; [JECFA] May cause irritation; [Alfa Aesar MSDS]
Hazard Classes and CategoriesNot Classified

안전 데이터

wgk
3
tsca
TSCA listed
HS 번호
29142900
risk_code
36/37/38-43
hazard_code
Xi
safety_code
22-24/25-36/37-26-36

화학 및 산업

용도 및 제조

UsesA peroxynitrite scavenger isolated from coffee extract. [ChemIDplus] Used as a flavoring agent; [FDA]
Household ProductsInformation on 1 consumer products that contain 3-Methyl-1,2-cyclopentanedione in the following categories is provided:
Use ClassificationFragrance Ingredients
General Manufacturing Information1,2-Cyclopentanedione, 3-methyl-: ACTIVE
응용 분야 · 3건

개요Methylcyclopentenolone has a sweet flavor somewhat similar to licorice.

출처Reported formed during the dry distillation of wood; found also in the corresponding tar oil; identified in fenugreek. Also reported found in black currants, onion, wheat bread, cured and cooked pork, beer, cocoa, coffee, barley, filbert, almond, sukiyaki, licorice, dried bonito and roasted chicory root

일반 설명3-Methyl-1,2-cyclopentanedione is present in coffee and is capable of scavenging peroxynitrite. It also has anti-inflammatory effects.

제조 방법

Sublimes and distills at atmospheric pressure with decomposition.

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]
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]

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