기본 정보
- CAS
80866-83-7- 표준 SMILES
CCCC(=O)OCC(C)c1ccccc1- InChIKey
SKLXPNZDCBPHCS-UHFFFAOYSA-N- 분자식
- C13H18O2
- 평균 분자량
- 206.28 g/mol
- 단동위원소 질량
- 206.13067981
이름 및 식별자
- 우선 이름
- 2-Phenylpropyl butyrate
- IUPAC
- 2-phenylpropyl butanoate
- 현지명
- 2-페닐프로필부티레이트
- 영어명
- 2-PHENYLPROPYL BUTYRATE
- 분자식
- C13H18O2
- 분자량
- 206.28
이름 및 동의어
2-Phenylpropyl butyrate2-phenylpropyl butanoateHydratropyl butyrateButanoic acid, 2-phenylpropyl esterFEMA No. 2891Methylphenethyl butyrate, beta-EINECS 279-587-2UNII-38G1J8241Q38G1J8241QSKLXPNZDCBPHCS-UHFFFAOYSA-DTXSID708685982-PHENYLPROPYL BUTYRATE [FHFI]
이름 더 보기
2-페닐프로필부티레이트FEMA 28912-Phenyl-1-propyl butyrate2-Phenyl-1-propanol butyrate2-PHENYLPROPYL BUTYRATE 98+%butanoicacid,2-phenylpropylesterButyric acid 2-phenylpropyl ester
RefChem:891032-Phenylpropyl n-butyrateDTXCID70816690(+-)-2-PHENYLPROPYL BUTYRATEalpha-Phenylpropyl alcohol butyric ester2-PHENYLPROPYL BUTYRATE, (+-)-279-587-2InChI=1/C13H18O2/c1-3-7-13(14)15-10-11(2)12-8-5-4-6-9-12/h4-6,8-9,11H,3,7,10H2,1-2H3
데이터베이스 식별자
- CAS
80866-83-7- PubChem CID
- 576263
- DTXSID
DTXSID70868598- UNII
- 38G1J8241Q
- EC Number
- 279-587-2
- Nikkaji
- J149.941F
물성
구조 계산 물성
- XLogP
- 3.2
- 극성 표면적
- 26.3 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 15
- 형식 전하
- 0
- 복잡도
- 183
실험 및 물리화학적 성질
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.988-0.994
Flavoring AgentsEU Flavoring substances
Solubility
Soluble in oils; Slightly soluble in water
Soluble (in ethanol)
Boiling Point
268.00 to 272.00 °C. @ 760.00 mm Hg
268-272 °C
Refractive Index1.485-1.491
Physical DescriptionColourless liquid; Sweet, fruity, rum, apricot aroma
물리화학적 성질
- 끓는 점
- 277 ℃ · 277℃
- 밀도
- 0.991 g/mL · 0.991 g/mL at 25 °C(lit.)
- FEMA
- 2891 · 2891 | 2-PHENYLPROPYL BUTYRATE
- 굴절률
- 20 · n20/D 1.4887(lit.)
- 인화점
- 230 °F · >230 °F
- 용해도
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 100% (89 of 89) of all reports.
Not Classified
Aggregated GHS information provided per 89 reports by companies from 1 notifications to the ECHA C&L Inventory.
유해성 정보
Regulatory Information
Chemical: Butanoic acid, 2-phenylpropyl ester
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Butanoic acid, 2-phenylpropyl ester: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesNot Classified
안전 데이터
- wgk
- 3
- safety_code
- 24/25
화학 및 산업
약리 정보
Cellular LocationsExtracellular
용도 및 제조
Use Classification
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
응용 분야
용도2-Phenylpropyl butyrate is sometimes used in floral or woody-floral perfume compositions as a modifier or as a “’new”’ note. It iinds also some use in flavor compositions of the heavy-fruity type, e. g. Peach and Mango, usually in concentrations as low as 1 to 2 ppm in the finished product.
제조 방법
By esterification of the alcohol with n-butyric acid.
공급사12 곳
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]
JINING XINHE CHEMICAL CO., LTD+8615318402391 · [email protected]
吉良化学21-62165282 · [email protected]
湖北恒绿源科技有限公司027-88188016 18717196322 · [email protected]
BOC Sciences[email protected]
河南威梯希化工科技有限公司0371-53732842 13383863444 · [email protected]
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