알릴메르캅탄

Allyl Mercaptan

HCID 13367CAS 870-23-5
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
C=CCS
InChIKey
ULIKDJVNUXNQHS-UHFFFAOYSA-N
분자식
C3H6S
평균 분자량
74.15 g/mol
단동위원소 질량
74.01902119

개요

2-Propene-1-thiol is an alkanethiol.

이름 및 식별자

우선 이름
Allyl Mercaptan
IUPAC
prop-2-ene-1-thiol
현지명
알릴메르캅탄
영어명
Allyl mercaptan
분자식
C3H6S
분자량
74.14

이름 및 동의어

ALLYL MERCAPTAN2-Propene-1-thiolprop-2-ene-1-thiolAllylthiolAllyl sulfhydrateallyl thioalcoholFEMA No. 20353-MercaptopropeneUNII-1X587IBY091X587IBY09NSC 6744NSC-6744
이름 더 보기
알릴머캅탄알릴머캡탄알릴메르캅탄알릴머캡탄(ALLYLMERCAPTAN)알릴 머캅탄CH2=CHCH2SH2-PROPEN-1-THIOLpropenemercaptan
EINECS 212-792-71-PROPENE-3-THIOLAI3-23286ALLYL MERCAPTAN [FHFI]DTXSID2061226FEMA 2035ULIKDJVNUXNQHS-UHFFFAOYSA-NSC6744

데이터베이스 식별자

CAS
870-23-5
PubChem CID
13367
DTXSID
DTXSID2061226
ChEMBL
CHEMBL3222024
ChEBI
CHEBI:89888
UNII
1X587IBY09
EC Number
212-792-7
Nikkaji
J1.740J

물성

구조 계산 물성

XLogP
1.2
극성 표면적
1 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
1
회전 가능 결합 수
1
무거운 원자 수
4

실험 및 물리화학적 성질

Chemical ClassesOther Classes -> Sulfur Compounds
SpringerMaterials PropertiesMolecular structure
Food AdditivesFLAVOR ENHANCER, FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.888-0.930
Flavoring AgentsEU Flavoring substances
Solubility · 2건

slightly soluble in water; miscible in alcohol, oil, and ethyl ether

1 ml in 1 ml 95% alcohol (in ethanol)

물리화학적 성질

녹는점
175 · 175-176 °C(Solv: benzene (71-43-2))
끓는 점
67 · 67-68 °C (lit.)
밀도
0.898 g/mL · 0.898 g/mL at 25 °C (lit.)
굴절률
20 · n20/D 1.4765(lit.)
FEMA
2035 · 2035 | ALLYL MERCAPTAN
인화점
18 °C · 18 °C

화학적 성질

colourless to faintly yellow-brown liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]

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

Aggregated GHS information provided per 1449 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 3건

Chemical: 2-Propene-1-thiol

Regulation (EC) No 1831/2003 (amended)

2-Propene-1-thiol: 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; [Sigma-Aldrich MSDS]
Hazard Classes and CategoriesFlam. Liq. 2 (100%)

안전 데이터

wgk
3
tsca
TSCA listed
ridadr
UN 1228 3/PG 2
HS 번호
29309090
risk_code
11
hazard_code
F

화학 및 산업

약리 정보

Cellular LocationsCytoplasm

용도 및 제조

UsesUsed as a flavoring agent; [FDA]
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-Propene-1-thiol: ACTIVE
응용 분야 · 2건

출처Reported found in onion, garlic and caucas (Allium victoralis L.).

용도Allyl Mercaptan is a synthetic flavoring agent that is a stable, color- less liquid of garlic-like odor. it should be stored in glass or tin con- tainers. it is used in artificial garlic flavors for application in condiments at 3 ppm, and in baked goods at 2 ppm. it is also termed 2 propylene-1 thiol.

제조 방법

Produced from Ally] bromide and Potassium hydrosulfide.

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]
江西益众化工有限公司15307925109 15350027073 · [email protected]
阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]

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