기본 정보
- CAS
5421-17-0- 표준 SMILES
CCCCCCOC(=O)Cc1ccccc1- InChIKey
MTAHGWGAEGVCLS-UHFFFAOYSA-N- 분자식
- C14H20O2
- 평균 분자량
- 220.31 g/mol
- 단동위원소 질량
- 220.14632988
개요
Hexyl phenylacetate is a member of benzenes.
이름 및 식별자
- 우선 이름
- Hexyl phenylacetate
- IUPAC
- hexyl 2-phenylacetate
- 영어명
- FEMA 3457
- 분자식
- C14H20O2
- 분자량
- 220.31
이름 및 동의어
Hexyl phenylacetatehexyl 2-phenylacetateBenzeneacetic acid, hexyl estern-Hexyl phenylacetateHexyl benzeneacetateHexyl alpha-toluatePhenylacetic acid hexyl esterFEMA No. 3457UNII-9OMY0L6TTU9OMY0L6TTUAcetic acid, phenyl-, hexyl esterNSC 6652
이름 더 보기
FEMA 3457FEMA 3457 USP/EP/BPhexyl 2-phenylethanoateHEXYL PHENYLACETATE 99+%Benzeneaceticacid,hexylesterPHENYLACETIC ACID, HEXYL ESTER
NSC-6652EINECS 226-537-2HEXYL .ALPHA.-TOLUATEAI3-22219DTXSID1063859HEXYL PHENYLACETATE [FHFI]RefChem:146355DTXCID1041635
데이터베이스 식별자
- CAS
5421-17-0- PubChem CID
- 221691
- DTXSID
DTXSID1063859- ChEBI
CHEBI:191568- UNII
- 9OMY0L6TTU
- EC Number
- 226-537-2
- Nikkaji
- J184.048G
물성
구조 계산 물성
- XLogP
- 4.2
- 극성 표면적
- 26.3 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 16
- 형식 전하
- 0
- 복잡도
- 183
실험 및 물리화학적 성질
FragrancesFragrance Ingredient (Hexyl phenylacetate) -> IFRA transparency List
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.970-0.977
Flavoring AgentsEU Flavoring substances
Solubility
Insoluble in water; soluble in oils; soluble in fats
Miscible at room temperature (in ethanol)
Boiling Point262 °C
Refractive Index1.480-1.490
Physical DescriptionColourless oily liquid; sweet-green, fruity-winey odour
물리화학적 성질
- 끓는 점
- 264 · 264-265 °C(lit.)
- 밀도
- 0.97 g/mL · 0.97 g/mL at 25 °C(lit.)
- FEMA
- 3457 · 3457 | HEXYL PHENYLACETATE
- 굴절률
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: Benzeneacetic acid, hexyl ester
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Benzeneacetic acid, hexyl ester: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - Benzeneacetic acid, hexyl ester: Human health tier I assessment
Hazard Classes and CategoriesNot Classified
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
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
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
General Manufacturing InformationBenzeneacetic acid, hexyl ester: ACTIVE
응용 분야
개요Hexyl phenylacetate has a sweet-green, fruity-winey odor.
출처Reported found in oil of Crimean white grape, spearmint oil, black tea and muscat grape
용도Hexyl phenylacetate is occasionally used in perfume compositions.
공급사10 곳
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
吉良化学21-62165282 · [email protected]
武汉丰泰威远科技有限公司027-87465837 19945049750 · [email protected]
广东元丰化学试剂有限公司0751-2829979 13376591640 · [email protected]
杭州杰恒化工有限公司
관련 반응
0건
현재 필터 조건에 해당하는 반응 기록이 없습니다.
화합물 노트
불러오는 중…