알릴메르캅탄
Allyl Mercaptan
기본 정보
- CAS
870-23-5- 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
- 형식 전하
- 0
- 복잡도
- 17.2
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
slightly soluble in water; miscible in alcohol, oil, and ethyl ether
1 ml in 1 ml 95% alcohol (in ethanol)
Boiling Point
65.00 to 67.00 °C. @ 760.00 mm Hg
66-68 °C
Vapor Pressure524.0 [mmHg]
Refractive Index1.470-1.491
Physical Description
Clear light brown liquid with a stench; [Sigma-Aldrich MSDS]
colourless to pale yellow mobile liquid with onion-like, sweet, not pungent 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, 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
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
- safety_code
- 16-33-9
- 포장분류
- II
- 위험 등급
- 3
- 기존화학 물질
- KE-29439
- F 고인화성물질
- 10-13-23
화학 및 산업
약리 정보
Cellular LocationsCytoplasm
용도 및 제조
UsesUsed as a flavoring agent; [FDA]
Use Classification
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
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
상류 원료
관련 반응
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