페닐프로판올
1-Phenyl-1-propanol
기본 정보
- CAS
1335-12-2- 표준 SMILES
CCC(O)c1ccccc1- InChIKey
DYUQAZSOFZSPHD-UHFFFAOYSA-N- 분자식
- C9H12O
- 평균 분자량
- 136.19 g/mol
- 단동위원소 질량
- 136.088815
개요
Phenylpropanol is an organic molecular entity.
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-ol93-54-9PhenylpropanolPhenycholonEjibilFelicurLivonalFeparFelitropePhenycholPhenicol
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 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 1
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 10
- 형식 전하
- 0
- 복잡도
- 84.7
실험 및 물리화학적 성질
PolymersOther Classes -> Alcohols and Polyols, Other
CosmeticsSolvent
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.993-1.000
Flavoring AgentsEU Flavoring substances
Solubility
0.6 g/L @ 20 °C (exp)
insoluble in water; soluble in organic solvents, oils
miscible at room temperature (in ethanol)
Boiling Point
103.00 °C. @ 14.00 mm Hg
219 °C
Refractive Index1.517-1.522
Physical Description
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
물리화학적 성질
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H302 (25.2%): Harmful if swallowed [Warning Acute toxicity, oral]
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.
유해성 정보
Regulatory Information
Chemical: Benzenemethanol, .alpha.-ethyl-
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
REACH registered substance: 1-phenylpropan-1-ol (EC: 202-256-0)
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%)
안전 데이터
- tsca
- TSCA listed
- 기존화학 물질
- KE-28421
화학 및 산업
약리 정보
Cellular LocationsCytoplasm
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:
Use Classification
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
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
관련 반응
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