5-Phenyl-1-pentanol

HCID 61523CAS 10521-91-2
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
OCCCCCc1ccccc1
InChIKey
DPZMVZIQRMVBBW-UHFFFAOYSA-N
분자식
C11H16O
평균 분자량
164.24 g/mol
단동위원소 질량
164.12011513

개요

5-Phenyl-1-pentanol is an aliphatic alcohol.

이름 및 식별자

우선 이름
5-Phenyl-1-pentanol
IUPAC
5-phenylpentan-1-ol
영어명
5-PHENYL-1-PENTANOL
분자식
C11H16O
분자량
164.24

이름 및 동의어

5-Phenylpentan-1-ol5-PHENYL-1-PENTANOL10521-91-2Benzenepentanol5-PhenylpentanolPhenylpentanolFEMA No. 361863AX6O7ZXDNSC-6590DTXSID4065107RefChem:103398DTXCID0032940
이름 더 보기
FEMA 3618FEMA 31685-phenylpentan-5-Phenylpentana5-PHENYLPENTANOL-1
234-064-8Phenylamyl alcohol1-Pentanol, 5-phenyl-Pentanol, 5-phenyl-Phenylpentanol (VAN)MFCD000029795-Phenyl-pentan-1-olUNII-63AX6O7ZXD

데이터베이스 식별자

CAS
10521-91-2
PubChem CID
61523
DTXSID
DTXSID4065107
ChEBI
CHEBI:193410
UNII
63AX6O7ZXD
EC Number
234-064-8
Nikkaji
J256I

물성

구조 계산 물성

XLogP
2.8
극성 표면적
20.2 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
1
회전 가능 결합 수
5
무거운 원자 수
12

실험 및 물리화학적 성질

SpringerMaterials PropertiesBoiling point
LogP2.89
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.970-0.977
Flavoring AgentsEU Flavoring substances
Solubility · 2건

insoluble in water; soluble in oils

miscible (in ethanol)

물리화학적 성질

끓는 점
155 °C20 · 155 °C20 mm Hg(lit.)
밀도
0.975 g/mL · 0.975 g/mL at 25 °C(lit.)
굴절률
20 · n20/D 1.516(lit.)
FEMA
3618 · 3618 | 5-PHENYLPENTANOL
인화점
230 °F · >230 °F
저장 조건
30 °C · Store below +30°C.

화학적 성질

clear colorless to pale yellow liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]

P264+P265, P280, P305+P354+P338, and P317 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory.

유해성 정보

Regulatory Information · 3건

Chemical: Benzenepentanol

Commission Regulation (EC) No 1565/2000 (Repealed by Com.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

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

Hazard Classes and CategoriesEye Dam. 1 (100%)

안전 데이터

wgk
3
tsca
TSCA listed
HS 번호
29062900
risk_code
41
hazard_code
Xi
safety_code
23-24/25-39-26

화학 및 산업

약리 정보

Cellular LocationsExtracellular

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 InformationBenzenepentanol: ACTIVE
응용 분야 · 2건

용도5-Phenyl-1-pentanol was used in the synthesis of:methoxy and fluorine analogs of N-(piperidinyl)-1-(2,4-dichlorophenyl)-4-methyl-5-(4-pentylphenyl)-1H-pyrazole-3-carboxamide (O-1302)2-[5-(4-iodophenyl)-pentyl]oxirane-2-carboxylic acid ethyl ester

일반 설명5-Phenyl-1-pentanol undergoes oxidation in the presence of ceric ammonium nitrate to yield 2-benzyltetrahydrofuran.

제조 방법

1) from Benzaldehyde by condensation with Butyraldehyde, followed by complete hydrogenation and reduction of the unsaturated aldehyde.2) from Phenyl magnesium chloride and Ethylene oxide.3) by reduction of Phenylpentenoic acid, ethylester.

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]
韶远科技(上海)有限公司021-50795510 4000665055 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]

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