기본 정보
- CAS
65813-53-8- 표준 SMILES
CC(C)C(=O)OCC(C)c1ccccc1- InChIKey
LZTCJUAHYXNKRE-UHFFFAOYSA-N- 분자식
- C13H18O2
- 평균 분자량
- 206.28 g/mol
- 단동위원소 질량
- 206.13067981
이름 및 식별자
- 우선 이름
- 2-Phenylpropyl isobutyrate
- IUPAC
- 2-phenylpropyl 2-methylpropanoate
- 현지명
- 2-페닐프로필이소부티레이트
- 영어명
- 2-Phenylpropyl isobutyrate
- 분자식
- C13H18O2
- 분자량
- 206.28
이름 및 동의어
2-Phenylpropyl isobutyrate2-Phenylpropyl 2-methylpropanoateHydratropyl isobutyrateHydratropyl 2-methylpropanoateFEMA No. 2892Propanoic acid, 2-methyl-, 2-phenylpropyl esterUNII-3H4JM1983Ebeta-Methylphenethyl isobutyrate3H4JM1983EEINECS 265-931-92-Methyl-2-phenylethyl 2-methylpropanoateLZTCJUAHYXNKRE-UHFFFAOYSA-
이름 더 보기
2-페닐프로필이소부티레이트FEMA 2892B-PHENYLPROPYL ISOBUTYRATE2-Phenylpropyl isobutyrate,98%2-PHENYLPROPYL ISOBUTYRATE 98%2-PHENYLPROPYL ISOBUTYRATE 97+%Isobutyric acid 2-phenylpropyl ester
DTXSID30867183.BETA.-METHYLPHENETHYL ISOBUTYRATE2-PHENYLPROPYL ISOBUTYRATE [FHFI]2-PhenylpropylisobutyrateRefChem:89104DTXCID30815386InChI=1/C13H18O2/c1-10(2)13(14)15-9-11(3)12-7-5-4-6-8-12/h4-8,10-11H,9H2,1-3H3LZTCJUAHYXNKRE-UHFFFAOYSA-N
데이터베이스 식별자
- CAS
65813-53-8- PubChem CID
- 576240
- DTXSID
DTXSID30867183- UNII
- 3H4JM1983E
- EC Number
- 265-931-9
- Nikkaji
- J149.942D
물성
구조 계산 물성
- XLogP
- 3.4
- 극성 표면적
- 26.3 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 15
- 형식 전하
- 0
- 복잡도
- 193
실험 및 물리화학적 성질
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.971-0.977
Flavoring AgentsEU Flavoring substances
Solubility
Soluble in oils; Insoluble in water
Soluble (in ethanol)
Boiling Point
270.00 to 271.00 °C. @ 760.00 mm Hg
258 °C
Refractive Index1.482-1.488
Physical DescriptionColourless liquid; Fruity floral aroma
물리화학적 성질
- 끓는 점
- 305.14 °C · 305.14°C (rough estimate)
- 밀도
- 0.973 g/mL · 0.973 g/mL at 25 °C (lit.)
- FEMA
- 2892 · 2892 | 2-PHENYLPROPYL ISOBUTYRATE
- 굴절률
- 20 · n20/D 1.485(lit.)
- 인화점
- 230 °F · >230 °F
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% (90 of 90) of all reports.
Not Classified
Aggregated GHS information provided per 90 reports by companies from 1 notifications to the ECHA C&L Inventory.
유해성 정보
Regulatory Information
Chemical: Propanoic acid, 2-methyl-, 2-phenylpropyl ester
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Propanoic acid, 2-methyl-, 2-phenylpropyl ester: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Hazard Classes and CategoriesNot Classified
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- safety_code
- 24/25
- 스토리지 클래스
- 10 - Combustible liquids
화학 및 산업
약리 정보
Cellular LocationsMembrane
용도 및 제조
Use Classification
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
General Manufacturing InformationPropanoic acid, 2-methyl-, 2-phenylpropyl ester: INACTIVE
응용 분야
용도2-Phenylpropyl isobutyrate finds very little use in perfumery, but it is used in flavor compositions where heavy-fruity notes are desirable, e. g. imitation fruit preserve, Plum, Prune, Blackcurrant, etc. Concentration is normally about 5 to 20 ppm in the finished product.
공급사17 곳
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
JINING XINHE CHEMICAL CO., LTD+8615318402391 · [email protected]
吉良化学21-62165282 · [email protected]
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