Benzenebutanol (HCID 76889)

이름 및 식별자

우선 이름: Benzenebutanol
IUPAC: 4-phenylbutan-1-ol
영어명: 4-Phenylbutanol
분자식: C10H14O
분자량: 150.22

이름 및 동의어

4-Phenyl-1-butanol4-Phenylbutan-1-ol3360-41-6Benzenebutanol4-PhenylbutanolPhenylbutyl alcohol1-Butanol, 4-phenyl-Q5ORZ1321GNSC-71383DTXSID3062994RefChem:916871DTXCID9038715

이름 더 보기

4-PHENYL BUTANOL4-Hexyl-1-butanol4-PHENYLBUTANOL-11-Phenyl-4-butanol4-PHENYL-1-BUSTANOL

222-128-84-Phenylbutyl Alcohol4-phenyl-butan-1-olMFCD000029714-Phenyl-n-butanol4-Phenyl butanol-155053-52-6phenbutanol

데이터베이스 식별자

CAS: 3360-41-6、55053-52-6
PubChem CID: 76889
DTXSID: DTXSID3062994
ChEMBL: CHEMBL5590376
UNII: Q5ORZ1321G
EC Number: 222-128-8
Nikkaji: J1.822H

물성

구조 계산 물성

XLogP: 2.3
극성 표면적: 20.2 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 1
회전 가능 결합 수: 4
무거운 원자 수: 11
형식 전하: 0
복잡도: 84.9

실험 및 물리화학적 성질

SpringerMaterials PropertiesOptical coefficient

물리화학적 성질

끓는 점: 140 · 140-142 °C14 mm Hg(lit.)
밀도: 0.984 g/mL · 0.984 g/mL at 20 °C(lit.)
굴절률: 20 · n20/D 1.521(lit.)
인화점: 230 °F · >230 °F
저장 조건: Sealed in dry,Room Temperature
용해도: 클로로포름에 용해됨
물리적 상태: 액체
산도 계수 (pKa): 15.13 · 15.13±0.10(Predicted)
색상: 무색의
냄새: 100 %에서 · 100.00%에서. 장미
냄새 유형: 꽃향기
BRN: 2042122 · 2042122
Henry's Law Constant: 6.7 · 6.7×100 mol/(m3Pa) at 25℃, Altschuh et al. (1999)
안정성: 안정적인. 타기 쉬운. 강한 산화제와 호환되지 않습니다.
InChI: 1S/C10H14O/c11-9-5-4-8-10-6-2-1-3-7-10/h1-3,6-7,11H,4-5,8-9H2
InChIKey: LDZLXQFDGRCELX-UHFFFAOYSA-N
SMILES: OCCCCc1ccccc1
LogP: 2.35 · 2.350
NIST: Benzenebutanol(3360-41-6)
EPA: Benzenebutanol (3360-41-6)

화학적 성질

colourless liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

This chemical does not meet GHS hazard criteria for 66.7% (2 of 3) of all reports.

H412 (33.3%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

P273, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 2 notifications to the ECHA C&L Inventory.

유해성 정보

Regulatory Information · 3건

Chemical: Benzenebutanol

Status: Active Update: 03-07-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/26363

Benzenebutanol: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationEvaluation - Chemicals that are unlikely to require further regulation to manage risks to environment

Hazard Classes and CategoriesAquatic Chronic 3 (33.3%)

안전 데이터

wgk: 3
tsca: TSCA listed
rtecs: 222-128-8
HS 번호: 29062900
risk_code: 34
hazard_code: Xi,C
safety_code: 23-24/25-45-36/37/39-27-26
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

용도 및 제조

General Manufacturing InformationBenzenebutanol: INACTIVE

응용 분야

용도4-Phenyl-1-butanol is used as a reagent in the synthesis of substituted pyrrolidine-2-carboxylic acids which are used in the treatment of AT2 receptor function associated diseases.

일반 설명4-Phenyl-1-butanol is oxidized by ceric ammonium nitrate in acetonitrile to afford 2-phenyltetrahydrofuran. It undergoes cyclization in presence of phosphoric acid at high temperature to yield tetralin.

제조 방법 · 1건

생산 방법4-Phenylbutanol can be produced 1) from Phenylacetaldehyde and Acetaldehyde by condensation, followed by hydrogenation and reduction of the unsaturated aldehyde. 2) from Phenylethyl magnesiumbromide plus Ethylene oxide in a Grignard type reaction.

상·하류 제품 정보

하류 제품

공급사50 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]

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

烟台宇晨生物医药有限公司0535-7295056 15692356085 · [email protected]

INTATRADE GmbH+49 3493/605464 · [email protected]

Hebei Yanxi Chemical Co., Ltd.+86-17531190177 · [email protected]

연결된 노트

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Benzenebutanol

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