4-Phenyl-2-butanol

HCID 61302CAS 2344-70-9
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
CC(O)CCc1ccccc1
InChIKey
GDWRKZLROIFUML-UHFFFAOYSA-N
분자식
C10H14O
평균 분자량
150.22 g/mol
단동위원소 질량
150.10446507

이름 및 식별자

우선 이름
4-Phenyl-2-butanol
IUPAC
4-phenylbutan-2-ol
영어명
4-Phenyl-2-butanol
분자식
C10H14O
분자량
150.22

이름 및 동의어

4-Phenyl-2-butanol4-Phenylbutan-2-ol2344-70-9BENZENEPROPANOL, ALPHA-METHYL-1-Phenyl-3-butanolMethylphenethylcarbinol2-Butanol, 4-phenyl-2-Hydroxy-4-phenylbutaneFEMA No. 2879SZ2IE5UDQRalpha-MethylbenzenepropanolNSC-69076
이름 더 보기
FEMA 28791-PhenethylethanolAURORA KA-69744-phenyl-2-butylol4-Phenyl-2-butanol>4-PHENYL-2-BUTANOL 98%
DTXSID60862904RefChem:100348DTXCID70218478219-055-9Phenylethyl methyl carbinolMFCD00044349Benzenepropanol, .alpha.-methyl-phenylbutanol

데이터베이스 식별자

CAS
2344-70-9
PubChem CID
61302
DTXSID
DTXSID60862904
ChEMBL
CHEMBL5589991
ChEBI
CHEBI:195902
UNII
SZ2IE5UDQR
EC Number
219-055-9
Nikkaji
J1.806F

물성

구조 계산 물성

XLogP
2.3
극성 표면적
20.2 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
1
회전 가능 결합 수
3
무거운 원자 수
11

실험 및 물리화학적 성질

Density0.977-0.983
Solubility · 2건

insoluble in water; soluble in organic solvents, oils

miscible at room temperature (in ethanol)

Boiling Point · 2건

123.00 to 124.00 °C. @ 15.00 mm Hg

229 °C

Refractive Index1.514-1.518
Physical Descriptioncolourless oily liquid with a floral-fruity, herbaceous odour
Kovats Retention Index · 2건

1241

2029

물리화학적 성질

녹는점
61 °C · 61 °C
끓는 점
132 °C/14 · 132 °C/14 mmHg (lit.)
밀도
0.97 g/mL · 0.970 g/mL at 25 °C (lit.)
굴절률
20 · n20/D 1.5140(lit.)
FEMA
2879 · 2879 | 4-PHENYL-2-BUTANOL
인화점
231 °F · 231 °F

화학적 성질

4-Phenyl-2-butanol has a herbaceous, aromatic, floral-fruity odor.

안전 및 규제

유해성 정보

Regulatory Information · 3건

Chemical: 4-Phenyl-2-butanol

Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)

Benzenepropanol, .alpha.-methyl-: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationIMAP assessments - 4-Phenyl-2-butanol: Environment tier I assessment

규제 정보

Regulatory Information · 3건

Chemical: 4-Phenyl-2-butanol

Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)

Benzenepropanol, .alpha.-methyl-: Does not have an individual approval but may be used under an appropriate group standard

안전 데이터

wgk
3
HS 번호
29062900
safety_code
24/25
스토리지 클래스
10 - Combustible liquids

화학 및 산업

약리 정보

Cellular LocationsCytoplasm；Extracellular

용도 및 제조

Use Classification · 4건

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavoring Agents -> JECFA Flavorings Index

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

응용 분야 · 2건

용도4-Phenyl-2-butanol is a reagent used for the direct alkylation of amines with primary and secondary alcohols through biocatalytic hydrogen borrowing. It is also used in the preparation of personal care composition comprising malodor reduction compositions.

일반 설명4-Phenyl-2-butanol undergoes (η5-pentaphenylcyclopentadienyl)RuCl(CO)2 catalyzed racemization efficiently at room temperature in the presence of a base. 4-Phenyl-2-butanol on reaction with sulfuric acid yields polymer.

제조 방법

The optically inactive product can be prepared by hydrogenation of benzylidene acetone in alcohol solution; under pressure in the presence of platinum oxide, palladium oxide or ferrous sulfate; by reduction with magnesium in methanol.

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]
苏州道澜生物医药科技有限公司15952404857 · [email protected]
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
北京福源坊科技有限公司010-57903446 15869909019 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]

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