시클로펜탄티올
Cyclopentanethiol
기본 정보
- CAS
1679-07-8- 표준 SMILES
SC1CCCC1- InChIKey
WVDYBOADDMMFIY-UHFFFAOYSA-N- 분자식
- C5H10S
- 평균 분자량
- 102.2 g/mol
- 단동위원소 질량
- 102.05032149
개요
Cyclopentanethiol is an alkanethiol.
이름 및 식별자
- 우선 이름
- Cyclopentanethiol
- IUPAC
- cyclopentanethiol
- 현지명
- 시클로펜탄티올
- 영어명
- Cyclopentanethiol
- 분자식
- C5H10S
- 분자량
- 102.2
이름 및 동의어
CYCLOPENTANETHIOL1679-07-8Cyclopentyl mercaptanMercaptocyclopentaneCyclopentylthiolFEMA No. 3262DTXSID1047108BRN 2343861EINECS 216-841-3H279996YO9CYCLOPENTANETHIOL [FHFI]DTXCID9027108
이름 더 보기
시클로펜탄티올FEMA 3262CyclopentanthiolCyclopentanethiol >Cyclopentanethiol 97%CYCLOPENTANETHIOL 97+%mercaptancyclopentylique
4-06-00-00015 (Beilstein Handbook Reference)RefChem:581007216-841-3MFCD00001369cyclopentyl thiolUNII-H279996YO9cyclopen-tanethiolcyclopentane thiol
데이터베이스 식별자
- CAS
1679-07-8- PubChem CID
- 15510
- DTXSID
DTXSID1047108- ChEMBL
CHEMBL3186752- ChEBI
CHEBI:173317- UNII
- H279996YO9
- EC Number
- 216-841-3
- Nikkaji
- J43.297K
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
- 0
- 무거운 원자 수
- 6
- 형식 전하
- 0
- 복잡도
- 37.2
실험 및 물리화학적 성질
SpringerMaterials PropertiesBoiling point
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.920-0.925
Flavoring AgentsEU Flavoring substances
Solubility
758 mg/L @ 25 °C (calc.)
slightly soluble in water; soluble in alcohol and oils
(in ethanol)
Boiling Point
41.00 to 42.00 °C. @ 16.00 mm Hg
131 °C
Refractive Index1.488
Physical Descriptioncolourless liquid
물리화학적 성질
- 녹는점
- -117.76 °C · -117.76°C
- 끓는 점
- 129 · 129-131 °C/745 mmHg (lit.)
- 밀도
- 0.955 g/mL · 0.955 g/mL at 25 °C (lit.)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 45 reports by companies from 2 notifications to the ECHA C&L Inventory.
유해성 정보
Regulatory Information
Chemical: Cyclopentanethiol
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Cyclopentanethiol: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Hazard Classes and CategoriesFlam. Liq. 3 (100%)
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- GY4701000
- ridadr
- UN 3336 3/PG 3
- HS 번호
- 29309090
- risk_code
- 10
- safety_code
- 16-23-24/25
- 포장분류
- III
- 위험 등급
- 3
- Hazard Classifications
- Flam. Liq. 3
- 스토리지 클래스
- 3 - Flammable liquids
화학 및 산업
약리 정보
Cellular LocationsMembrane
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 InformationCyclopentanethiol: INACTIVE
응용 분야
개요Cyclopentanethiol belongs to the class of organic compounds known as alkylthiols. These organic compounds contain the thiol functional group linked to an alkyl chain. Cyclopentanethiol is an alliaceous, celery, and citrus-tasting compound.
용도Cyclopentanethiol has used as a food spice. It is a pharmaceutical intermediate.
제조 방법
From cyclopentyl bromide and potassium hydrosulfide; by treating cycloalkanone dimethyl dithioacetals with four equivalents of an alkaline metal; from cyclopentyl naphthyl sulfide and an aluminosilicate catalyst.
상·하류 제품 정보
상류 원료
관련 반응
75건
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