3-Mercapto-2-butanone

HCID 38679
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기본 정보

CAS
40789-98-8
표준 SMILES
CC(=O)C(C)S
InChIKey
XLMPYCGSRHSSSX-UHFFFAOYSA-N
분자식
C4H8OS
평균 분자량
104.17 g/mol
단동위원소 질량
104.02958588

개요

3-Mercapto-2-butanone is a ketone.

이름 및 식별자

우선 이름
3-Mercapto-2-butanone
IUPAC
3-sulfanylbutan-2-one
영어명
3-Mercapto-2-butanone
분자식
C4H8OS
분자량
104.17

이름 및 동의어

3-Mercapto-2-butanone40789-98-82-Mercapto-3-butanone3-sulfanylbutan-2-one2-BUTANONE, 3-MERCAPTO-FEMA No. 3298Mercapto-3 butanone-2BRN 1737689Mercapto-3 butanone-2 [French]EINECS 255-082-2UNII-99G79565PJ99G79565PJ
이름 더 보기
3-MERCAPTOBUTANONEFEMA 32983-MERCAPTOBUTAN-2-ONEUNII:99G79565PJmercapto-3butanone-23-mercapto-2-butanon
DTXSID908660164-01-00-03993 (Beilstein Handbook Reference)3-MERCAPTO-2-BUTANONE [FHFI]RefChem:94532DTXCID70814358(+-)-3-MERCAPTO-2-BUTANONE255-082-2XLMPYCGSRHSSSX-UHFFFAOYSA-N

데이터베이스 식별자

CAS
40789-98-8
PubChem CID
38679
DTXSID
DTXSID90866016
ChEBI
CHEBI:166838
UNII
99G79565PJ
EC Number
255-082-2
Nikkaji
J294.762E

물성

구조 계산 물성

XLogP
0.7
극성 표면적
18.1 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
2
회전 가능 결합 수
1
무거운 원자 수
6

실험 및 물리화학적 성질

Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density1.016 (20 °C)
Flavoring AgentsEU Flavoring substances
Solubility · 2건

slightly soluble in water; soluble in alcohol, ether, pyridine and aqueous alkalis

(in ethanol)

Boiling Point50 °C (18 mm Hg)
Refractive Index1.469-1.479

물리화학적 성질

끓는 점
48 · 48-49 °C/15 mmHg (lit.)
밀도
1.035 g/mL · 1.035 g/mL at 25 °C (lit.)
굴절률
20 · n20/D 1.4352
FEMA
3298 · 3298 | 3-MERCAPTO-2-BUTANONE
인화점
117 °F · 117 °F
저장 조건
Refrigerator

화학적 성질

Colorless liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H226 (11.7%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 1458 reports by companies from 14 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 3건

Chemical: 2-Butanone, 3-mercapto-

Status: Active Update: 24-09-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/20473

2-Butanone, 3-mercapto-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesFlam. Liq. 3 (11.7%)

안전 데이터

wgk
3
tsca
TSCA listed
rtecs
EL9050000
ridadr
UN 1993 3/PG 2
HS 번호
29309090
risk_code
10-36/37/38

화학 및 산업

약리 정보

Cellular LocationsCytoplasm

용도 및 제조

Use Classification · 2건

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavoring Agents -> JECFA Flavorings Index

General Manufacturing Information2-Butanone, 3-mercapto-: ACTIVE

응용 분야

일반 설명3-Mercapto-2-butanone is a sulfur-containing flavor compound mainly found in meat and meat products. It is formed by the Maillard reaction between sugars and cysteine or thiamin, which are known precursors for meat-like flavorings.

제조 방법

From 2,4,5-trimethyl-2-ethyl-3-thiazoline with butyl and hydrolysis; from oxo-compound with sulfur or polysulfides and ammonia at room temperature.

상·하류 제품 정보

공급사100 곳

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]
Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]
Baoji Guokang Healthchem co.,ltd+8615604608665 15604608665 · [email protected]

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