기본 정보
- CAS
5205-11-8- 표준 SMILES
CC(C)=CCOC(=O)c1ccccc1- InChIKey
INVWRXWYYVMFQC-UHFFFAOYSA-N- 분자식
- C12H14O2
- 평균 분자량
- 190.24 g/mol
- 단동위원소 질량
- 190.09937969
개요
Prenyl benzoate is a benzoate ester.
이름 및 식별자
- 우선 이름
- Prenyl benzoate
- IUPAC
- 3-methylbut-2-enyl benzoate
- 현지명
- 벤조산3-메틸-2-부텐일에스테르
- 영어명
- Benzoic acid 3-methyl-2-butenyl ester
- 분자식
- C12H14O2
- 분자량
- 190.24
이름 및 동의어
Prenyl benzoate5205-11-83-Methyl-2-butenyl benzoate3-Methylbut-2-enyl benzoate3-methylbut-2-en-1-yl benzoate2-BUTEN-1-OL, 3-METHYL-, BENZOATEDTXSID8047131Benzoic acid, 3-methyl-2-butenyl esterEINECS 225-998-7PRENYL BENZOATE [FHFI]O577ZIE86G2-Buten-1-ol, 3-methyl-, 1-benzoate
이름 더 보기
벤조산3-메틸-2-부텐일에스테르PROFLORA3-Methyl-2-butenylbenzoatBENZOIC ACID PRENYL ESTER3-Methylbut-2-enylbenzoate3-methyl-2-buten-1-obenzoatebenzoicacidmethylbutenylester2-Buten-1-ol,3-methyl-,benzoate
FEMA NO. 4203BRN 2046710DTXCID6027131RefChem:868479225-998-71207440Benzoic Acid 3-Methyl-2-butenyl EsterMFCD00036570
데이터베이스 식별자
- CAS
5205-11-8- PubChem CID
- 21265
- DTXSID
DTXSID8047131- ChEMBL
CHEMBL2260710
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
- 4
- 무거운 원자 수
- 14
- 형식 전하
- 0
- 복잡도
- 208
실험 및 물리화학적 성질
FragrancesFragrance Ingredient (3-Methyl-2-butenyl benzoate) -> IFRA transparency List
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density1.016-1.025
Flavoring AgentsEU Flavoring substances
Solubility
Practically insoluble or insoluble in water
Soluble (in ethanol)
Boiling Point109-111 °C (2 mm Hg)
Refractive Index1.514-1.521
Physical DescriptionColourless liquid; Sweet, balsamic odour with tea-like quality and natural connotations
물리화학적 성질
- 끓는 점
- 107 °C · 107 °C / 2.3mmHg
- 밀도
- 1.03 · 1.03
- 굴절률
- 1.519 · 1.5190-1.5210
- FEMA
- 4203 · 4203 | PRENYL BENZOATE
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 86.1% (236 of 274) of all reports.
H411 (13.9%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
P273, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 274 reports by companies from 2 notifications to the ECHA C&L Inventory.
유해성 정보
Regulatory Information
Chemical: 2-Buten-1-ol, 3-methyl-, benzoate
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
2-Buten-1-ol, 3-methyl-, benzoate: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - 2-Buten-1-ol, 3-methyl-, benzoate: Environment tier I assessment
Hazard Classes and CategoriesAquatic Chronic 2 (13.9%)
안전 데이터
- wgk
- WGK 2
- tsca
- TSCA listed
- rtecs
- EM9473900
- HS 번호
- 2916399090
- risk_code
- 50
- hazard_code
- N
- safety_code
- 61
- Hazard Classifications
- Aquatic Chronic 2
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
약리 정보
Cellular LocationsMembrane
용도 및 제조
Use Classification
Fragrance Ingredients
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
General Manufacturing Information2-Buten-1-ol, 3-methyl-, 1-benzoate: ACTIVE
응용 분야
출처Reported used in Cascarilla bark oil (0.03%), ylang ylang oil I, Cananga odorata Hook. f. and Thomas. (0.11%), ylang ylang oil II, Cananga odorata Hook. f. and Thomas. (0.25%), ylang ylang oil III (0.27%).
공급사39 곳
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
武汉绿景丰华生物科技有限公司19972070065 · [email protected]
Aladdin Scientific[email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
관련 반응
0건
현재 필터 조건에 해당하는 반응 기록이 없습니다.
화합물 노트
불러오는 중…