기본 정보
- CAS
103-41-3- 표준 SMILES
O=C(C=Cc1ccccc1)OCc1ccccc1- InChIKey
NGHOLYJTSCBCGC-UHFFFAOYSA-N- 분자식
- C16H14O2
- 평균 분자량
- 238.28 g/mol
- 단동위원소 질량
- 238.09937969
이름 및 식별자
- 우선 이름
- 2-Propenoic acid, 3-phenyl-, phenylmethyl ester
- IUPAC
- benzyl 3-phenylprop-2-enoate
- 현지명
- 벤질 3-페닐프로펜산
- 영어명
- Benzyl cinnamate
- 분자식
- C16H14O2
- 분자량
- 238.28
이름 및 동의어
benzyl 3-phenylprop-2-enoate2-Propenoic acid, 3-phenyl-, phenylmethyl esterRefChem:482083Benzylbeta-phenylacrylateMFCD00004789Cinnamic acid-benzyl esterbenzyl-3-phenyl-propenoateSCHEMBL43213orb1299180orb3139343CHEMBL2361576SCHEMBL10352885
이름 더 보기
벤질3-페닐프로펜산벤질3-페닐프로펜산벤질신나메이트CINNAMEINFEMA 2142guisuanbianzhiBenzyl ciamateBenzyl cinmateBENZYL CINNAMATEBenzylcinnamoateBENZYL CINNAMATE(P)Benzyl cinnamate-RM
3-Phenyl-acrylic acid benzyl esters5167AKOS025243955SY015224DS-002671NS00075622Cinnamic acid-benzyl ester 1000 microg/mL in Acetonitrile8014-16-2
데이터베이스 식별자
- CAS
103-41-3- PubChem CID
- 7652
- DTXSID
DTXSID3041663- ChEMBL
CHEMBL2361576
물성
구조 계산 물성
- XLogP
- 3.8
- 극성 표면적
- 26.3 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 18
- 형식 전하
- 0
- 복잡도
- 271
물리화학적 성질
- 녹는점
- 34 · 34-37 °C (lit.)
- 끓는 점
- 195 · 195-200 °C/5 mmHg (lit.)
- 밀도
- 1.11 · 1.11
- 증기압
- 0.1 hPa · <0.1 hPa (20 °C)
- FEMA
- 2142 · 2142 | BENZYL CINNAMATE
- 굴절률
- 1.4025 · 1.4025-1.4045
- 인화점
- 230 °F · >230 °F
- 저장 조건
- 30 °C · Store below +30°C.
- 용해도
- 알코올에 용해됨(lit.)
- 물리적 상태
- 녹은 후의 결정질 덩어리 또는 액체
- 색상
- 무색~황색으로 투명함
- 냄새
- 향기로운 냄새
- 냄새 유형
- 발사믹
- 생물학적 소스
- synthetic
- 수용성
- 실질적으로 불용성
- Merck
- 14 · 14,1130
- JECFA Number
- 670 · 670
- BRN
- 2051339 · 2051339
- Henry's Law Constant
- 3 · 3.0×101 mol/(m3Pa) at 25℃, HSDB (2015)
- 화장품 원료 기능
- 향수
- InChI
안전 및 규제
유해성 정보
Regulatory Information
Chemical: 2-Propenoic acid, 3-phenyl-, phenylmethyl ester
Hazard Traits - Fragrance Allergen；Authoritative List - Annex III of the EU Cosmetics Regulation No. 1223/2009 - Fragrance Allergens；Report - if present in a rinse-off cosmetic product at a concentration at or above 0.01 percent (100 parts per million) or in a leave-on cosmetic product at a concentration at or above 0.001 percent (10 parts per million)
Benzyl cinnamate: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - Chemicals with limited data availability that are used in fragrances: Human health tier II assessment
독성 정보
Carcinogen ClassificationNo indication of carcinogenicity to humans (not listed by IARC).
규제 정보
Regulatory Information
Chemical: 2-Propenoic acid, 3-phenyl-, phenylmethyl ester
Hazard Traits - Fragrance Allergen；Authoritative List - Annex III of the EU Cosmetics Regulation No. 1223/2009 - Fragrance Allergens；Report - if present in a rinse-off cosmetic product at a concentration at or above 0.01 percent (100 parts per million) or in a leave-on cosmetic product at a concentration at or above 0.001 percent (10 parts per million)
Benzyl cinnamate: Does not have an individual approval but may be used under an appropriate group standard
안전 데이터
- wgk
- 2
- tsca
- TSCA listed
- rtecs
- GD8400000
- ridadr
- 3077
- 독성
- LD50 orally in rats: 5530 mg/kg (Jenner)
화학 및 산업
용도 및 제조
General Manufacturing Information2-Propenoic acid, 3-phenyl-, phenylmethyl ester: ACTIVE
응용 분야
출처Reported found in Peru and Tolu balsam, in Sumatra and Penang benzoin, and as the main constituent of copaiba balsam.
용도Benzyl cinnamate has been employed as internal standard during the determination of compounds commonly added to personal care products such as UV filters and antimicrobial agents in environmental samples.
일반 설명Benzyl cinnamate is widely used as a fragrance ingredient.
제조 방법
생산 방법Benzyl cinnamate is produced by the direct esterification of benzyl alcohol with cinnamic acid.
By heating benzyl chloride and excess sodium cinnamate in water to 100 to 115°C; by heating sodium cinnamate with an excess of benzyl chloride in the presence of diethylamine.
상·하류 제품 정보
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