2-Phenyl-1-propanol
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기본 정보
- CAS
1123-85-9- 표준 SMILES
CC(CO)c1ccccc1- InChIKey
RNDNSYIPLPAXAZ-UHFFFAOYSA-N- 분자식
- C9H12O
- 평균 분자량
- 136.19 g/mol
- 단동위원소 질량
- 136.088815
개요
2-Phenyl-1-propanol is a member of benzenes.
이름 및 식별자
- 우선 이름
- 2-Phenyl-1-propanol
- IUPAC
- 2-phenylpropan-1-ol
- 영어명
- beta-Methylphenethyl alcohol
- 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
FEMA 27322-PHENYL PROPYL ALCOHOL3-Bromo-β2-phenylpropan-HYDRATROPAALKOHOLhydratropylalcohol
DTXSID8037756NSC-523227ZYZ88DWUPHENETHYL ALCOHOL, beta-METHYL-DTXCID6017756RefChem:478219214-379-7Benzeneethanol, .beta.-methyl-
데이터베이스 식별자
- CAS
1123-85-9- PubChem CID
- 14295
- DTXSID
DTXSID8037756- ChEMBL
CHEMBL2323841- ChEBI
CHEBI:193640- UNII
- 27ZYZ88DWU
- EC Number
- 214-379-7
- Nikkaji
- J69.580G
물성
구조 계산 물성보충 중
- 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
- 형식 전하
- 0
- 복잡도
- 84.7
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
Soluble in oils; Slightly soluble in water
Soluble (in ethanol)
Boiling Point
113.00 to 114.00 °C. @ 14.00 mm Hg
219 °C
Refractive Index1.523-1.530
Physical Description
Colorless liquid; [Alfa Aesar MSDS]
Colourless liquid; Sweet floral lilac, hyacinth type aroma
물리화학적 성질
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
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
Chemical: Benzeneethanol, .beta.-methyl-
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
REACH registered substance: 2-phenylpropan-1-ol (EC: 214-379-7)
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
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
- tsca
- TSCA listed
- rtecs
- SG8590000
- HS 번호
- 29062900
- risk_code
- 22
- hazard_code
- Xn
- safety_code
- 23-24/25-36
- 스토리지 클래스
화학 및 산업
약리 정보
Cellular LocationsCytoplasm
용도 및 제조
UsesUsed as a flavoring agent; [FDA]
Use Classification
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
개요β-Methylphenethyl alcohol has a faint, aromatic odor reminiscent of hyacinth. May be prepared by reduction of the corresponding aldehyde with zinc and acetic acid and subsequent saponification of the sodium salt; two optically active isomers (d- and l-) are known.
용도2-Phenyl-1-propanol was used to study the synergism between enzyme catalysis and microwave irradiation.
일반 설명The mass spectra of 2-phenyl-1-propanol was studied by positive- and negative-ion-fast atom bombardment-mass spectrometric ionization technique.
제조 방법
By reduction of the corresponding aldehyde with zinc and acetic acid and subsequent saponification of the sodium salt; two optically active isomers (d- and l-) are known
생산 방법2-Phenyl-1-propanol is made by the catalytic hydrogenation of 2-phenylpropanal. It is used as a component of fragrances and as a food flavoring agent.
상·하류 제품 정보
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