기본 정보
- CAS
122-74-7- 표준 SMILES
CCC(=O)OCCCc1ccccc1- InChIKey
GTNCESCYZPMXCJ-UHFFFAOYSA-N- 분자식
- C12H16O2
- 평균 분자량
- 192.25 g/mol
- 단동위원소 질량
- 192.11502975
개요
3-Phenylpropyl propanoate is a member of benzenes.
이름 및 식별자
- 우선 이름
- 3-Phenylpropyl propanoate
- IUPAC
- 3-phenylpropyl propanoate
- 현지명
- 3-페닐프로필프로피오네이트
- 영어명
- 3-PHENYL PROPYL PROPIONATE
- 분자식
- C12H16O2
- 분자량
- 192.25
이름 및 동의어
3-Phenylpropyl propanoate3-Phenylpropyl propionate122-74-7Hydrocinnamyl propionatePhenylpropyl propionateBenzenepropanol, 1-propanoateBENZENEPROPANOL, PROPANOATE3-Phenyl-1-propanol propionate1-Propanol, 3-phenyl-, propionateFEMA No. 2897NSC 6032EINECS 204-571-9
이름 더 보기
3-페닐프로필프로피오네이트FEMA 2897Metformin Impurity 46phenylpropylpropionate3-Phenylpropylpropionat3-PHENYL PROPYL PROPIOTE3-PHENYL PROPYL PROPIONATEBenzenepropanol,propanoatebeta-phenylpropylpropionate
BRN 3272005AI3-18535NSC-6032C4756E9F55DTXSID808617573-PHENYLPROPYL PROPANOATE [FHFI]RefChem:504984DTXCID40810640
데이터베이스 식별자
- CAS
122-74-7- PubChem CID
- 61052
- DTXSID
DTXSID80861757- ChEBI
CHEBI:179906- UNII
- C4756E9F55
- EC Number
- 204-571-9
- Nikkaji
- J69.784B
물성
구조 계산 물성
- XLogP
- 3
- 극성 표면적
- 26.3 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 14
- 형식 전하
- 0
- 복잡도
- 160
실험 및 물리화학적 성질
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.995-1.005
Flavoring AgentsEU Flavoring substances
Solubility
very slightly
insoluble in water; soluble in oils
miscible (in ethanol)
Boiling Point
279.00 to 280.00 °C. @ 760.00 mm Hg
265 °C
Refractive Index1.488-1.495
Physical DescriptionColourless liquid, heavy floral balsamic odour
물리화학적 성질
- 끓는 점
- 247 °C · 247 °C(lit.)
- 밀도
- 1 g/mL · 1.0 g/mL at 25 °C(lit.)
- 굴절률
- 20 · n20/D 1.4920(lit.)
- FEMA
- 2897 · 2897 | 3-PHENYLPROPYL PROPIONATE
- 인화점
- 93 °C · 93 °C
- 용해도
- Practically insoluble in water, soluble in alcohol and oils
- 냄새
- 100 %에서 · 100.00%에서. 꽃 발삼 히아신스 미모사
- 냄새 유형
- 꽃향기
- JECFA Number
- 639 · 639
- 화장품 원료 기능
- 향수
- LogP
- 3.4 · 3.40
- EPA
- Benzenepropanol, propanoate (122-74-7)
화학적 성질
Colorless to pale yellow liquid
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 85.8% (235 of 274) of all reports.
Warning
H315 (14.2%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 274 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory Information
Chemical: Benzenepropanol, propanoate
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Benzenepropanol, propanoate: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesSkin Irrit. 2 (14.2%)
안전 데이터
- wgk
- 2
- tsca
- TSCA listed
- rtecs
- UB9338400
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36
화학 및 산업
약리 정보
Cellular LocationsMembrane
용도 및 제조
Use Classification
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
General Manufacturing InformationBenzenepropanol, 1-propanoate: ACTIVE
응용 분야
출처Reported found in guava fruit.
용도3-Phenylpropyl propionate finds a little use in perfume compositions, particularly as part of the Narcisse fragrance picture. It is also used more generally as a sweetener in case that spicy notes are less desirable.It is also useful in Mimosa compositions with Anisyl acetate, Anisyl alcohol, etc.
제조 방법
By esterification of phenylpropyl alcohol with propionic acid.
공급사7 곳
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
陕西缔都医药化工有限公司029-81024372 17792795018 · [email protected]
河北贞佳新材料有限公司0319-5925599 13315915972 · [email protected]
BOC Sciences[email protected]
上海问彩新材料科技有限公司15721586846 · [email protected]
常州优瑞医药科技有限公司18168818882 · [email protected]
DONBOO AMINO ACID COMPANY13063595538 · [email protected]
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