1-페닐-1-프로판올

1-Phenyl-1-propanol

HCID 7147CAS 1335-12-2

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CCC(O)c1ccccc1
InChIKey: DYUQAZSOFZSPHD-UHFFFAOYSA-N
분자식: C9H12O
평균 분자량: 136.19 g/mol
단동위원소 질량: 136.088815

이름 및 식별자

우선 이름: 1-Phenyl-1-propanol
IUPAC: 1-phenylpropan-1-ol
현지명: 페닐프로판올
영어명: phenylpropanol
분자식: C9H12O
분자량: 136.19

이름 및 동의어

1-Phenyl-1-propanol1-Phenylpropan-1-ol93-54-9PhenylpropanolPhenycholonFelicurLivonalEjibilFeparFelitropePhenicolPhenychol

이름 더 보기

페닐프로판올phenyl-1-Propanol1-Propanol, phenyl-

BilergonCarbicolEpatoxfenGallenperlenPhenylcholCholedaUnicholalpha-Ethylbenzyl alcohol

데이터베이스 식별자

CAS: 1335-12-2、93-54-9、93842-54-7
PubChem CID: 7147
DTXSID: DTXSID2044474
ChEMBL: CHEMBL1397202
ChEBI: CHEBI:31995
UNII: 0F897O3O4M
EC Number: 202-256-0、215-621-4
Nikkaji: J4.678G

물성

구조 계산 물성

XLogP: 1.9
극성 표면적: 20.2 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 1
회전 가능 결합 수: 2
무거운 원자 수: 10
형식 전하: 0
복잡도: 84

실험 및 물리화학적 성질

Density0.993-1.000

Solubility · 3건

0.6 g/L @ 20 °C (exp)

insoluble in water; soluble in organic solvents, oils

miscible at room temperature (in ethanol)

Boiling Point · 2건

103.00 °C. @ 14.00 mm Hg

219 °C

Refractive Index1.517-1.522

Physical Description · 2건

Oily liquid with a mild ester-like odor; [Merck Index] Clear colorless liquid; [Sigma-Aldrich MSDS]

colourless oily liquid with a sweet floral balsamic odour

Kovats Retention Index1908

물리화학적 성질

화장품 원료 기능: 향수향기용제
EPA: 1 · 1-Propanol, phenyl- (1335-12-2)

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (25.2%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (76.1%): Causes skin irritation [Warning Skin corrosion/irritation]

P264, P270, P280, P301+P317, P302+P352, P321, P330, P332+P317, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 314 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

유해성 정보

Regulatory Information · 4건

Chemical: Benzenemethanol, .alpha.-ethyl-

Commission Regulation (EC) No 1565/2000 (Repealed by Com.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

Status: Active Update: 19-02-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/11867

1-Phenyl-1-propanol: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummarySafe when used as a flavoring agent in food; [JECFA] May cause irritation; Toxic by ingestion; [Sigma-Aldrich MSDS]

Hazard Classes and CategoriesAcute Tox. 4 (25.2%)；Skin Irrit. 2 (76.1%)

규제 정보

Regulatory Information · 4건

Chemical: Benzenemethanol, .alpha.-ethyl-

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

Status: Active Update: 19-02-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/11867

1-Phenyl-1-propanol: Does not have an individual approval but may be used under an appropriate group standard

안전 데이터

tsca: TSCA listed
기존화학 물질: KE-28421

화학 및 산업

약리 정보

Cellular LocationsCytoplasm；Extracellular

용도 및 제조

UsesUsed as a heat transfer medium, in perfumery, and as a choleretic; [Merck Index] Used as a flavoring agent; [FDA]

Household ProductsInformation on 3 consumer products that contain Phenylpropanol in the following categories is provided:；• Inside the Home

Use Classification · 6건

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavoring Agents -> JECFA Flavorings Index