기본 정보
- CAS
51755-66-9- 표준 SMILES
CCCC(CCO)SC- InChIKey
JSASXSHMJYRPCM-UHFFFAOYSA-N- 분자식
- C7H16OS
- 평균 분자량
- 148.27 g/mol
- 단동위원소 질량
- 148.0921863
개요
3-(methylthio)-1-hexanol has been reported in Passiflora edulis with data available.
이름 및 식별자
- 우선 이름
- 3-(Methylthio)-1-hexanol
- IUPAC
- 3-methylsulfanylhexan-1-ol
- 영어명
- 3-(Methylthio)-1-hexanol
- 분자식
- C7H16OS
- 분자량
- 148.27
이름 및 동의어
3-(Methylthio)-1-hexanol51755-66-93-(Methylthio)hexan-1-ol3-methylsulfanylhexan-1-ol1-Hexanol, 3-(methylthio)-3-(Methylmercapto)-1-hexanolFEMA No. 3438CFU4A74TQT3-methylthio-1-hexanol3-(methyl thio) hexanolEINECS 257-380-8AI3-37114
이름 더 보기
FEMA 3438UNII:CFU4A74TQT3-(methylthio)-1-hexano3-(METHYLMERCAPTO)HEXANOL3-METHYLMERCAPTO-1-HEXANOL
3-METHYLTHIO-1-HEXANOL [FHFI]RefChem:495589(+-)-3-(METHYLTHIO)-1-HEXANOL3-(METHYLTHIO)-1-HEXANOL, (+-)3-(METHYLTHIO)-1-HEXANOL, (+-)-257-380-83-(Methylthio)hexanolUNII-CFU4A74TQT
데이터베이스 식별자
- CAS
51755-66-9、90180-89-5- PubChem CID
- 65413
- DTXSID
DTXSID10866215- UNII
- CFU4A74TQT
- EC Number
- 257-380-8
- Nikkaji
- J261.169D
물성
구조 계산 물성
- XLogP
- 1.9
- 극성 표면적
- 45.5 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 9
- 형식 전하
- 0
- 복잡도
- 56.9
실험 및 물리화학적 성질
FragrancesFragrance Ingredient (3-(Methylthio)-1-hexanol) -> IFRA transparency List
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.964-0.974 (20 °C)
Flavoring AgentsEU Flavoring substances
Solubility
insoluble in water
(in ethanol)
Boiling Point140-145 °C; 130 °C (30 mm Hg); 61-62 °C (10 mm Hg)
Refractive Index1.474-1.489
Physical Descriptioncolourless liquid with sulfurous onion, garlic green vegetable odour
물리화학적 성질
- 끓는 점
- 61 · 61-62 °C10 mm Hg(lit.)
- 밀도
- 0.966 g/mL · 0.966 g/mL at 25 °C(lit.)
- FEMA
- 3438 · 3438 | 3-(METHYLTHIO)-1-HEXANOL
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 1.8% (27 of 1475) of reports.
Warning
H315 (91.1%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 1475 reports by companies from 12 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory Information
Chemical: 1-Hexanol, 3-(methylthio)-
Regulation (EC) No 1831/2003 (amended)
1-Hexanol, 3-(methylthio)-: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - 1-Hexanol, 3-(methylthio)-: Environment tier I assessment
Hazard Classes and CategoriesSkin Irrit. 2 (91.1%)
안전 데이터
- wgk
- 3
- ridadr
- UN 3334
- HS 번호
- 29309099
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-37/39
- 위험 등급
- 9
- Hazard Classifications
- Eye Irrit. 2STOT SE 3
- 스토리지 클래스
- 10 - Combustible liquids
화학 및 산업
약리 정보
Cellular LocationsCytoplasm
용도 및 제조
Use Classification
Fragrance Ingredients
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
응용 분야
개요3-(Methylthio)-l-hexanol has a green, vegetable odor.
출처Reported found in passion fruit and jackfrui
용도3-(Methylthio)-1-hexanol may be used in chemical synthesis.
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]
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
武汉欣扬瑞和化学科技有限公司13720274133 · [email protected]
武汉欣扬瑞和化学科技有限公司
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