기본 정보
- CAS
513-44-0- 표준 SMILES
CC(C)CS- InChIKey
BDFAOUQQXJIZDG-UHFFFAOYSA-N- 분자식
- C4H10S
- 평균 분자량
- 90.19 g/mol
- 단동위원소 질량
- 90.05032132
개요
Isobutanethiol has been reported in Psidium guajava and Mephitis mephitis with data available.
이름 및 식별자
- 우선 이름
- Isobutyl mercaptan
- IUPAC
- 2-methylpropane-1-thiol
- 영어명
- Isobutanethiol
- 분자식
- C4H10S
- 분자량
- 90.1872
이름 및 동의어
Isobutyl mercaptan2-METHYL-1-PROPANETHIOL2-Methylpropane-1-thiolIsobutanethiol1-Propanethiol, 2-methyl-Isobutyl thiol2-Methylpropyl mercaptanEINECS 208-162-6BRN 17308909H070UFP2XISOBUTYL MERCAPTAN [MI]DTXSID9060156
이름 더 보기
FEMA NO. 3874BDFAOUQQXJIZDG-UHFFFAOYSA-4-01-00-01605 (Beilstein Handbook Reference)2-METHYL-1-PROPANETHIOL [FHFI]RefChem:791632DTXCID2040999InChI=1/C4H10S/c1-4(2)3-5/h4-5H,3H2,1-2H3513-44-0
데이터베이스 식별자
- CAS
513-44-0- PubChem CID
- 10558
- DTXSID
DTXSID9060156- UNII
- 9H070UFP2X
- EC Number
- 208-162-6
- Nikkaji
- J6.281B
물성
구조 계산 물성
- XLogP
- 1.8
- 극성 표면적
- 1 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 1
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 5
- 형식 전하
- 0
- 복잡도
- 17.6
실험 및 물리화학적 성질
SpringerMaterials PropertiesBoiling point
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.829-0.836
Flavoring AgentsEU Flavoring substances
Solubility
soluble in oil and alcohol
(in ethanol)
Boiling Point
88.50 °C. @ 760.00 mm Hg
87-89 °C
Melting Point-79 °C
Refractive Index1.437-1.444
Physical Description
Liquid
colourless liquid with cooked vegetable, mustard-like odour
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Danger
H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, 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 1468 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory Information
Chemical: 1-Propanethiol, 2-methyl-
Regulation (EC) No 1831/2003 (amended)
1-Propanethiol, 2-methyl-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesFlam. Liq. 2 (100%)
화학 및 산업
약리 정보
Cellular LocationsCytoplasm
용도 및 제조
Use Classification
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
General Manufacturing Information1-Propanethiol, 2-methyl-: ACTIVE
공급사100 곳
常州帝通化工有限公司+86-0519-88298848 · [email protected]
三门峡奥科化工有限公司0398-3711988 13525866741 · [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]
Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
湖北成丰化工有限公司13125175253 · [email protected]
湖北鑫杰成化工科技有限公司13554075426 · [email protected]
武汉欣扬瑞和化学科技有限公司
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