2-Phenylethanethiol
기본 정보
- CAS
4410-99-5- 표준 SMILES
SCCc1ccccc1- InChIKey
ZMRFRBHYXOQLDK-UHFFFAOYSA-N- 분자식
- C8H10S
- 평균 분자량
- 138.23 g/mol
- 단동위원소 질량
- 138.05032149
이름 및 식별자
- 우선 이름
- 2-Phenylethanethiol
- IUPAC
- 2-phenylethanethiol
- 영어명
- 2-Phenylethanethiol
- 분자식
- C8H10S
- 분자량
- 138.23
이름 및 동의어
2-Phenylethanethiol4410-99-5Phenethyl mercaptanBenzeneethanethiolPhenylethyl mercaptan2-phenyl-1-ethanethiolPhenylethylthiol2-phenethylmercaptanPHENETHYLTHIOLb-PhenylethylmercaptanBenzeneethanethiol, 9CIUNII-I4TH2T2INY
이름 더 보기
2-Phenylethane-1-thiol2-PHENYLETHYL MERCAPTAN2-PhenylethylthiolFemano.3894Phenylethanethiol
I4TH2T2INY1-Mercapto-2-phenylethaneNSC-2616EINECS 224-563-9ETHANETHIOL, 2-PHENYL-FEMA NO. 3894FEMA 3894DTXSID60196039
데이터베이스 식별자
- CAS
4410-99-5- PubChem CID
- 78126
- DTXSID
DTXSID60196039- UNII
- I4TH2T2INY
- EC Number
- 224-563-9
- Nikkaji
- J205.789A
물성
구조 계산 물성
- XLogP
- 2.6
- 극성 표면적
- 1 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 1
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 9
- 형식 전하
- 0
- 복잡도
- 65
실험 및 물리화학적 성질
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density1.027-1.037
Flavoring AgentsEU Flavoring substances
Solubility
insoluble in water, soluble in ethanol, triacetin and heptane
(in ethanol)
Boiling Point
217.00 to 218.00 °C. @ 760.00 mm Hg
62 °C
Refractive Index1.560-1.615
Physical Descriptionclear, colourless liquid
물리화학적 성질
- 녹는점
- -30 °C · -30°C (estimate)
- 끓는 점
- 217 · 217-218 °C (lit.)
- 밀도
- 1.032 g/mL · 1.032 g/mL at 25 °C (lit.)
- 굴절률
- 20 · n20/D 1.560(lit.)
- FEMA
- 3894 · 3894 | PHENYLETHYL MERCAPTAN
- 인화점
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 9.4% (11 of 117) of reports.
Warning
H302 (88.9%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 117 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory InformationBenzeneethanethiol: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesAcute Tox. 4 (88.9%)
안전 데이터
- wgk
- 3
- ridadr
- UN 3334
- HS 번호
- 29309090
- risk_code
- 20/21/22
- hazard_code
- Xn
- safety_code
- 23-24/25-36/37
- F 고인화성물질
- 13
- 스토리지 클래스
- 10 - Combustible liquids
화학 및 산업
약리 정보
Cellular LocationsMembrane
용도 및 제조
Use Classification
Flavoring Agents -> JECFA Flavorings Index
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
응용 분야
용도2-Phenylethanethiol has been used:in preparation of biicosahedral Au (25) clusters protected with various types of thiol ligandsas derivatization reagent for phosphorylated sequences of peptides, for enhancing ionization efficiency in matrix-assisted laser desorption/ionization mass spectrometry
일반 설명Structures of 2-phenylethanethiol and its 1:1 water clusters have been studied using resonant two-photon ionization spectroscopy.
상·하류 제품 정보
하류 제품
관련 반응
70건
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