2-Thiophenemethanol (HCID 69467)

개요

2-thiophenemethanol is a metabolite found in or produced by Saccharomyces cerevisiae.

이름 및 식별자

우선 이름: 2-Thiophenemethanol
IUPAC: thiophen-2-ylmethanol
영어명: 2-Thiophenemethanol
분자식: C5H6OS
분자량: 114.17

이름 및 동의어

2-Thiophenemethanol636-72-6thiophen-2-ylmethanol2-ThienylmethanolThiophene-2-methanol2-(Hydroxymethyl)thiopheneThenyl alcohol(thiophen-2-yl)methanol2-Thiophenecarbinol2-THIENYLCARBINOLEINECS 211-264-3Thiophene, 2-(hydroxymethyl)-

이름 더 보기

2-THIOPHENETHANOL2-THENYL ALCOHOL2-THIENYLETHANOLthiophenecarbinol2-THIENYL CARBINOL

UNII-279633QQ3DNSC 89695NSC-89695279633QQ3D2-THIENYLMETHYL ALCOHOLFEMA NO. 4642DTXSID502129792Thenyl alcohol

데이터베이스 식별자

CAS: 636-72-6
PubChem CID: 69467
DTXSID: DTXSID50212979
UNII: 279633QQ3D
EC Number: 211-264-3
Nikkaji: J82E

물성

구조 계산 물성

XLogP: 0.9
극성 표면적: 48.5 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 7
형식 전하: 0
복잡도: 56

실험 및 물리화학적 성질

Chemical ClassesOther Classes -> Thiophenes

LogP0.87

Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food

Density1.205-1.215 (20 °C)

Solubility · 2건

Soluble in water

Soluble (in ethanol)

Boiling Point · 2건

206.00 to 207.00 °C. @ 760.00 mm Hg

206-207 °C

물리화학적 성질

녹는점: 0 °C · 0°C
끓는 점: 207 °C · 207 °C (lit.)
밀도: 1.205 g/mL · 1.205 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.564(lit.)
FEMA: 4642 · 4642 | 2-THIENYLMETHANOL
인화점: 214 °F · 214 °F
저장 조건: 2 · 2-8°C
산도 계수 (pKa): 13.89 · 13.89±0.10(Predicted)
물리적 상태: 액체
색상: 무색투명~연황색
냄새: 0.1 % · 프로필렌 글리콜 중 0.10%. 고소한 로스팅 커피
냄새 유형: 짭짤한
수용성: 40 g/L · 40g/L(20℃)
JECFA Number: 2111 · 2111
BRN: 383595 · 383595
InChI: 1S/C5H6OS/c6-4-5-2-1-3-7-5/h1-3,6H,4H2
InChIKey: ZPHGMBGIFODUMF-UHFFFAOYSA-N
SMILES: OCc1cccs1
LogP: 0.71 · 0.71
NIST: 2 · 2-Thiophenemethanol(636-72-6)

화학적 성질

clear colourless to light yellow liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (97.8%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 91 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory InformationTHIOPHENE-2-METHANOL: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryMay cause irritation; [Sigma-Aldrich MSDS]

Hazard Classes and CategoriesAcute Tox. 4 (97.8%)

안전 데이터

wgk: 3
HS 번호: 29349990
risk_code: 36/37/38
hazard_code: Xi
safety_code: 23-24/25-36-26
F 고인화성물질: 13
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

약리 정보

Cellular LocationsCytoplasm

용도 및 제조

Use Classification · 2건

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavoring Agents -> JECFA Flavorings Index

응용 분야

용도No commercially developed applications.

상·하류 제품 정보

상류 원료

하류 제품

2-(Chloromethyl)thiophene 2-티오페네카르복스알데하이드 메틸(2-)티오펜 5-Bromo-2,2'-bithiophene-5'-carboxaldehyde beta-(2-Thienyl)-DL-alanine 2-Thiophenemethanethiol D-2-Thienylalanine tioxazafen TRANS-2-PENTEN-1-OL 1,2-Ethanediamine, N1,N2-bis(2-thienylmethylene)-

공급사50 곳

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

上海伟聂化工科技有限公司13046668259 · [email protected]

江苏生康迈翔科技有限公司18217475093 · [email protected]

武汉欣扬瑞和化学科技有限公司13720274133 · [email protected]

合肥翰刚医药科技有限公司+8618062405514 · [email protected]

연결된 노트

불러오는 중…

2-Thiophenemethanol

기본 정보

개요