2-펜닐-1-프로판올

2-Phenyl-1-propanol

HCID 178799004CAS 98103-87-8
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
CC(CO)c1ccccc1
InChIKey
RNDNSYIPLPAXAZ-UHFFFAOYSA-N
분자식
C9H12O
평균 분자량
136.19 g/mol

개요

2-Phenyl-1-propanol is a member of benzenes.

이름 및 식별자

우선 이름
2-Phenyl-1-propanol
IUPAC
2-phenylpropan-1-ol
현지명
2-펜닐-1-프로판올
영어명
2-Phenyl-1-propanol
분자식
C9H12O
분자량
136.19

이름 및 동의어

2-Phenylpropan-1-ol2-Phenyl-1-propanol1123-85-9Hydratropic alcoholbeta-Methylphenethyl alcohol2-Phenylpropyl alcoholHydratropyl alcohol1-Hydroxy-2-phenylpropane2-Phenylpropanol-11-Propanol, 2-phenyl-Benzeneethanol, beta-methyl-FEMA No. 2732
이름 더 보기
2-펜닐-1-프로판올Hydrotropic alcoholFEMA 2732β-HydroxycuMeneTIMTEC-BB SBB007853RARECHEM AL BD 01232-PHENYL PROPYL ALCOHOLHYDRATROPIC ALCOHOL WHITEB-METHYLPHENETHYL ALCOHOLBETA-PHENYLPROPYL ALCOHOL
DTXSID8037756NSC-523227ZYZ88DWUPHENETHYL ALCOHOL, beta-METHYL-DTXCID6017756RefChem:478219214-379-7Benzeneethanol, .beta.-methyl-

데이터베이스 식별자

CAS
98103-87-8
ChEMBL
CHEMBL2323841
ChEBI
CHEBI:193640
UNII
27ZYZ88DWU
EC Number
214-379-7
Nikkaji
J69.580G

물성

구조 계산 물성

XLogP
2.4
극성 표면적
20.2 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
1
회전 가능 결합 수
2
무거운 원자 수
10

실험 및 물리화학적 성질

PolymersOther Classes -> Alcohols and Polyols, Other
FragrancesFragrance Ingredient (beta-Methylphenethyl alcohol) -> IFRA transparency List
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.971-0.978
Flavoring AgentsEU Flavoring substances
Solubility · 2건

Soluble in oils; Slightly soluble in water

Soluble (in ethanol)

물리화학적 성질

끓는 점
110 · 110-111 °C10 mm Hg(lit.)
밀도
0.975 g/mL · 0.975 g/mL at 25 °C(lit.)
굴절률
20 · n20/D 1.526(lit.)
인화점
201 °F · 201 °F
색상
무색의 액체.

안전 및 규제

GHS 분류

GHS Classification · 3건

This chemical does not meet GHS hazard criteria for 93.1% (268 of 288) of all reports.

Not Classified

Aggregated GHS information provided per 288 reports by companies from 5 notifications to the ECHA C&L Inventory.

유해성 정보

Regulatory Information · 4건

Chemical: Benzeneethanol, .beta.-methyl-

Commission Regulation (EC) No 1565/2000 (Repealed by Com.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

Status: Active Update: 09-12-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/30222

Benzeneethanol, .beta.-methyl-: 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
Hazards Summary · 1건

Causes changes in liver, bladder, and kidney weights, changes in erythrocyte count, normocytic anemia, and weight loss in 13-week oral studies of rats; [RTECS] Safe when used as a flavoring agent in food; [JECFA] May cause irritation; Harmful by ingestion; [Alfa Aesar MSDS]

Hazard Classes and CategoriesNot Classified

안전 데이터

wgk
2
rtecs
SG8590000
독성
The acute oral LD50 value in rats was reported as 2.3 ± 0.407 g/kg (McGee, 1974). The acute dermal LD50 value in rabbits exceeded 5 g/kg (McGee, 1974)
safety_code
23-24/25

화학 및 산업

약리 정보

Cellular LocationsCytoplasm

용도 및 제조

UsesUsed as a flavoring agent; [FDA]
Use Classification · 4건

Fragrance Ingredients

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavoring Agents -> JECFA Flavorings Index

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

General Manufacturing InformationBenzeneethanol, .beta.-methyl-: ACTIVE

응용 분야

출처Has apparently not been reported to occur in nature.

제조 방법

By catalytic hydrogenation of the corresponding aldehyde.

공급사6 곳

Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
山东洛克化工有限公司17653113209 13065062079 · [email protected]
山东智尚新材料有限公司+8617653113209 · [email protected]
厦门盈融达化工有限公司+86-0592-6210733 · [email protected]
SHANDONG ZHI SHANG CHEMICAL CO.LTD0531-68652808 18953170293 · [email protected]

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