기본 정보
- CAS
94-47-3- 표준 SMILES
O=C(OCCc1ccccc1)c1ccccc1- InChIKey
OSORMYZMWHVFOZ-UHFFFAOYSA-N- 분자식
- C15H14O2
- 평균 분자량
- 226.27 g/mol
- 단동위원소 질량
- 226.09937969
이름 및 식별자
- 우선 이름
- Phenethyl Benzoate
- IUPAC
- 2-phenylethyl benzoate
- 현지명
- 펜에틸 벤조에이트
- 영어명
- FEMA 2860
- 분자식
- C15H14O2
- 분자량
- 226.27
이름 및 동의어
Phenethyl benzoate2-Phenylethyl benzoate94-47-3Phenylethyl benzoateBenzoic acid, 2-phenylethyl esterBenzylcarbinyl benzoatePhenethylbenzoatePhenethyl alcohol, benzoateBENZOIC ACID, PHENETHYL ESTERBenzyl carbinyl benzoateFEMA No. 2860.beta.-Phenethyl benzoate
이름 더 보기
페네틸벤조산펜에틸벤조에이트페네틸벤조에이트페네틸 벤조산FEMA 2860202-284-3PhenethylbenzoatPHENYLETHYLBENZOATFEMA 2860 USP/EP/BP2-Phenethyl benzoate2-phenylethylbenzoate
.beta.-Phenylethyl benzoate2-Fenylethylester kyseliny benzooveDTXSID9047590phenylethylbenzoateEINECS 202-336-5NSC 24096BRN 2052132benzoic acid 2-phenylethyl ester
데이터베이스 식별자
- CAS
94-47-3- PubChem CID
- 7194
- DTXSID
DTXSID9047590- ChEMBL
CHEMBL2252208- ChEBI
CHEBI:156233- UNII
- 0C143929GK
- EC Number
- 202-336-5
- Nikkaji
- J16.833E
물성
구조 계산 물성
- XLogP
- 4
- 극성 표면적
- 26.3 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 17
- 형식 전하
- 0
- 복잡도
- 225
실험 및 물리화학적 성질
LogP4.01
Boiling Point189.00 °C. @ 12.00 mm Hg
Kovats Retention Index
1848；1829；1815；1828；1818；1796；1809；1825；1825；1836；1849；1863；1823；1841；1831.8；1841；1825
1858.9；1860；1859；1841；1858；1844；1841；1854；1859；1841
2654；2668；2621；2652；2652；2682
물리화학적 성질
- 끓는 점
- 182 °C12 · 182 °C12 mm Hg(lit.)
- 밀도
- 1.093 g/mL · 1.093 g/mL at 25 °C(lit.)
- 증기압
- 0.015 Pa · 0.015Pa at 25℃
- 굴절률
- 20 · n20/D 1.56(lit.)
- FEMA
- 2860 · 2860 | PHENETHYL BENZOATE
- 인화점
- 230 °F · >230 °F
- 용해도
- Insoluble in water, soluble in alcohol and oils.
- 물리적 상태
- 액체
- 색상
- 무색의
- 냄새
- 100 %에서 · 100.00%에서. 부드러운 장미 발삼 꿀 꽃무늬
- 냄새 유형
- 꽃향기
- 생물학적 소스
- synthetic
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 82.7% (124 of 150) of all reports.
H411 (17.3%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
P273, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 150 reports by companies from 2 notifications to the ECHA C&L Inventory.；Reported as not meeting GHS hazard criteria per 124 of 150 reports by companies.；There is 1 notification provided by 26 of 150 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
Chemical: Benzoic acid, 2-phenylethyl ester
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Status: Active Update: 13-04-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/19730
Benzoic acid, 2-phenylethyl ester: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Other Safety InformationIMAP assessments - Benzoic acid, 2-phenylethyl ester: Human health tier I assessment
Hazard Classes and CategoriesAquatic Chronic 2 (17.3%)
규제 정보
Regulatory Information
화학 및 산업
약리 정보
Cellular LocationsMembrane
용도 및 제조
Household ProductsInformation on 1 consumer products that contain Phenethyl Benzoate in the following categories is provided:；• Personal Care
Use ClassificationFragrance Ingredients
General Manufacturing InformationBenzoic acid, 2-phenylethyl ester: ACTIVE
응용 분야
출처Reported found in the essential oil from flowers of rose and orange, in bilberry, cinnamon leaf, cassia leaf, malay apple and sea buckthorn.
용도Phenethyl Benzoate is a building block used in the synthetic preparation of esters using Bi(OTf)3 catalyzed acylation of alcohols with acid anhydrides.
제조 방법
From phenethyl alcohol and benzoyl chloride in the presence of NaOH; from phenylethyl alcohol and methylbenzoate; by esterification of phenylethyl acohol with benzoic acid.
상·하류 제품 정보
상류 원료
공급사61 곳
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