기본 정보
- CAS
2315-68-6- 표준 SMILES
CCCOC(=O)c1ccccc1- InChIKey
UDEWPOVQBGFNGE-UHFFFAOYSA-N- 분자식
- C10H12O2
- 평균 분자량
- 164.2 g/mol
- 단동위원소 질량
- 164.08372962
개요
Propyl benzoate is a benzoate ester obtained by condensation of benzoic acid and propanol. It has a balsamic odor reminescent of nuts with a sweet, fruity, nut-like taste. It has a role as a flavouring agent, an antimicrobial food preservative and a plant metabolite.
이름 및 식별자
- 우선 이름
- Propyl Benzoate
- IUPAC
- propyl benzoate
- 현지명
- 벤조산노르말프로필에스테르
- 영어명
- PROPYL BENZOATE
- 분자식
- C10H12O2
- 분자량
- 164.2
이름 및 동의어
PROPYL BENZOATEBenzoic acid, propyl estern-Propyl benzoatePropyl benzenecarboxylateBenzoic acid n-propyl esterBenzoate de propyleUNII-VWK210B7WSVWK210B7WSFEMA No. 2931DTXSID4044878EINECS 219-020-8NSC 229333
이름 더 보기
벤조산노르말프로필에스테르벤조산프로필프로필벤조에이트프로필 벤조에이트1-propylbenzoatePropyl Benzoate >Propyl benzoate,99%Benzoic acid propylPropyl benzoate 99%n-Propylbenzoate(BNP)Propyl benzoate USP/EP/BP
AI3-01973NSC-229333PROPYL BENZOATE [FHFI]DTXCID2024878FEMA 2931CHEBI:156072propyl benzoic acidRefChem:176479
데이터베이스 식별자
- CAS
2315-68-6- PubChem CID
- 16846
- DTXSID
DTXSID4044878- ChEMBL
CHEMBL1355077- ChEBI
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
- 4
- 무거운 원자 수
- 12
- 형식 전하
- 0
- 복잡도
- 137
실험 및 물리화학적 성질
Cosmetics
Cosmetic ingredients (Propyl Benzoate) -> CIR (Cosmetic Ingredient Review)
Solvent; Preservative
SpringerMaterials PropertiesBoiling point
LogP
3.01
3.23
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density1.020-1.026
Flavoring AgentsEU Flavoring substances
Solubility
0.351 mg/mL at 25 °C
insoluble in water; soluble in organic solvents, oils
miscible at room temperature (in ethanol)
Boiling Point
229.00 to 231.00 °C. @ 760.00 mm Hg
229 °C
Melting Point-51 - -52 °C
Refractive Index1.498-1.503
Physical Description
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 98.9% (94 of 95) of all reports.
Not Classified
Aggregated GHS information provided per 95 reports by companies from 2 notifications to the ECHA C&L Inventory.
유해성 정보
Regulatory Information
Chemical: Benzoic acid, propyl ester
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Propyl benzoate: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - Benzoic acid, propyl ester: Human health tier I assessment
Hazard Classes and CategoriesNot Classified
독성 정보
Toxicity SummarySafe in the present practices of use and concentration. Ingredient, concentration, and use information are available in documents discoverable at https://cir-reports.cir-safety.org
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- HS 번호
- 29163100
- safety_code
- 24/25
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2
- 스토리지 클래스
- 10 - Combustible liquids
화학 및 산업
약리 정보
Cellular LocationsMembrane
용도 및 제조
UsesCIR ingredient: Propyl Benzoate
Use Classification
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Cosmetics -> Solvent; Preservative
General Manufacturing InformationBenzoic acid, propyl ester: ACTIVE
응용 분야
개요Propyl benzoate is an organic chemical compound used as a food additive. It is an ester.
출처Reported found in sweet cherry, clove stem and butter.
용도Propyl benzoate has a nutty odor and sweet fruity or nut-like taste, and as such, it is used as a synthetic flavoring agent in foods. It also has antimicrobial properties and is used as a preservative in cosmetics. It occurs naturally in the sweet cherry and in clove stems, as well as in butter.
일반 설명The adsorption data of propyl benzoate was obtained by frontal analysis on a symmetry-C18 column by a mixture of methanol and water as the mobile phase.
제조 방법
By exchange between methyl benzoate and propyl alcohol in the presence of potassium propylate; by heating benzamide sulfate with propyl alcohol at 90 to 95°C.
상·하류 제품 정보
상류 원료
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