2-Phenyl-1-propanol (HCID 14295)

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 물성

XLogP: 2.4
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

Density0.971-0.978

Solubility · 2건

Soluble in oils; Slightly soluble in water

Soluble (in ethanol)

Boiling Point · 2건

113.00 to 114.00 °C. @ 14.00 mm Hg

219 °C

Refractive Index1.523-1.530

Physical Description · 2건

Colorless liquid; [Alfa Aesar MSDS]

Colourless liquid; Sweet floral lilac, hyacinth type aroma

Kovats Retention Index · 3건

1144.6

1179

1975.1；1920

물리화학적 성질

녹는점: -37 °C · -37 °C
끓는 점: 110 · 110-111 °C/10 mmHg (lit.)
밀도: 0.975 g/mL · 0.975 g/mL at 25 °C (lit.)
증기압: 3.45 hPa · 3.45hPa at 25℃
FEMA: 2732 · 2732 | BETA-METHYLPHENETHYL ALCOHOL
굴절률: 20 · n20/D 1.526(lit.)
인화점: 201 °F · 201 °F
저장 조건: Sealed in dry,Room Temperature
물리적 상태: 투명한 액체
산도 계수 (pKa): 14.79 · 14.79±0.10(Predicted)
Specific Gravity: 1.015 · 1.015
색상: 무색 내지 거의 무색
냄새: 100 %에서 · 100.00%에서. 녹색 매운 히아신스 발삼 라일락 인동덩굴
냄새 유형: 발사믹
생물학적 소스: synthetic
수용성: 불용성
JECFA Number: 1459 · 1459
BRN: 1906760 · 1906760
주요 응용: 향료 및 향
화장품 원료 기능: 향수
InChI: 1S/C9H12O/c1-8(7-10)9-5-3-2-4-6-9/h2-6,8,10H,7H2,1H3
InChIKey: RNDNSYIPLPAXAZ-UHFFFAOYSA-N
SMILES: CC(CO)c1ccccc1
LogP: 1.8 at · 1.8 at 20℃
NIST: Benzeneethanol, «beta»-methyl-(1123-85-9)
EPA: Benzeneethanol, .beta.-methyl- (1123-85-9)

화학적 성질

CLEAR LIQUID

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；Reported as not meeting GHS hazard criteria by 268 of 288 companies (only 6.9% companies provided GHS information). For more detailed information, please visit ECHA C&L website.

Aggregated GHS information provided per 288 reports by companies from 5 notifications to the ECHA C&L Inventory.；Reported as not meeting GHS hazard criteria per 268 of 288 reports by companies.；There are 4 notifications provided by 20 of 288 reports by companies with hazard statement code(s).；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: 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

규제 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

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: 10 - Combustible liquids

화학 및 산업

약리 정보

Cellular LocationsCytoplasm；Extracellular

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 · 3건

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.