시클로펜탄티올

Cyclopentanethiol

HCID 15510CAS 1679-07-8
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
SC1CCCC1
InChIKey
WVDYBOADDMMFIY-UHFFFAOYSA-N
분자식
C5H10S
평균 분자량
102.2 g/mol
단동위원소 질량
102.05032149

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

실험 및 물리화학적 성질

Density0.920-0.925
Solubility · 3건

758 mg/L @ 25 °C (calc.)

slightly soluble in water; soluble in alcohol and oils

(in ethanol)

Boiling Point · 2건

41.00 to 42.00 °C. @ 16.00 mm Hg

131 °C

Refractive Index1.488
Physical Descriptioncolourless liquid
Kovats Retention Index · 2건

829

1107；1111；1133；1139.1

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.)
증기 밀도
0.96 · 0.96 (vs air)
증기압
1 mm · 1 mm Hg ( 20 °C)
굴절률
20 · n20/D 1.4902(lit.)

화학적 성질

Colorless liquid

안전 및 규제

GHS 분류

GHS Classification · 5건

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.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

유해성 정보

Regulatory Information · 3건

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Commission Regulation (EC) No 1565/2000 (Repealed by Com.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%)

규제 정보

Regulatory Information · 3건

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

안전 데이터

wgk
3
tsca
TSCA listed
rtecs
GY4701000
ridadr
UN 3336 3/PG 3
HS 번호
29309090
risk_code
10

화학 및 산업

약리 정보

Cellular LocationsMembrane

용도 및 제조

Use Classification · 3건

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

공급사50 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]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
河南赢创生物科技有限公司16650615803 · [email protected]
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]

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