기본 정보
- CAS
2705-87-5- 표준 SMILES
C=CCOC(=O)CCC1CCCCC1- InChIKey
TWXUTZNBHUWMKJ-UHFFFAOYSA-N- 분자식
- C12H20O2
- 평균 분자량
- 196.29 g/mol
- 단동위원소 질량
- 196.14632988
개요
Allyl cyclohexylpropionate is a fatty acid ester.
이름 및 식별자
- 우선 이름
- Allyl cyclohexanepropionate
- IUPAC
- prop-2-enyl 3-cyclohexylpropanoate
- 현지명
- 사이클로헥실프로피온산 알릴
- 영어명
- Allyl cyclohexylpropionate
- 분자식
- C12H20O2
- 분자량
- 196.29
이름 및 동의어
2705-87-5Allyl cyclohexanepropionateAllyl cyclohexylpropionateAllyl 3-cyclohexylpropionateCyclohexanepropanoic acid, 2-propenyl ester3-Allylcyclohexyl propionateProp-2-en-1-yl 3-cyclohexylpropanoateAllyl hexahydrophenylpropionateAllyl beta-cyclohexylpropionateprop-2-enyl 3-cyclohexylpropanoateFEMA No. 20262-Propenyl cyclohexanepropanoate
이름 더 보기
사이클로헥실프로피온산알릴알릴사이클로헥실프로피오네이트알릴사이클로헥실프로피오네이트2-프로페닐3-사이클로헥산프로파노에이트FEMA 2026Pineapple estePineapple esterALLYLCYCLOHEXYL PROPIONATE3-allyl-cyclohexanopropionateAnanolideohexanepropionateAllylcyclohxylpropionate
CYCLOHEXANEPROPIONIC ACID, ALLYL ESTERCyclohexanol, 3-allyl-, propionate2-Propen-1-yl cyclohexanepropionateEINECS 220-292-5Cyclohexanepropanoic acid, 2-propen-1-yl esterDTXSID8044755BRN 2254663H4W9H3L241
데이터베이스 식별자
물성
구조 계산 물성
- XLogP
- 3.8
- 극성 표면적
- 26.3 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 14
- 형식 전하
- 0
- 복잡도
- 181
실험 및 물리화학적 성질
LipidsFatty Acyls [FA] -> Fatty esters [FA07] -> Wax monoesters [FA0701]
Fragrances
Fragrance substance (Allyl 3-cyclohexylpropionate) -> IFRA amendment 51
Fragrance Ingredient (Allyl cyclohexanepropionate) -> IFRA transparency List
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.945-0.950
Flavoring AgentsEU Flavoring substances
Solubility
Soluble in ether, higher oils and fatty oils. Insoluble in glycerine and water
1ml in 4ml 80% ethanol (in ethanol)
Boiling Point
91.00 °C. @ 1.00 mm Hg
91 °C (1mm Hg)
Refractive Index1.457-1.462
Physical Description
Liquid; CBI
Colourless liquid with a pineapple odour
물리화학적 성질
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H302 (99.9%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P270, P271, P272, P273, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P332+P317, P333+P317, P362+P364, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2014 reports by companies from 25 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Danger
H301: Toxic if swallowed [Danger Acute toxicity, oral]
유해성 정보
Regulatory Information
Chemical: Cyclohexanepropanoic acid, 2-propenyl ester
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Cyclohexanepropanoic acid, 2-propen-1-yl ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Cyclohexanepropanoic acid, 2-propen-1-yl ester are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
REACH registered substance: Allyl 3-cyclohexylpropionate (EC: 220-292-5)
Allyl 3-cyclohexylpropionate: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - Aliphatic allyl esters: Human health tier II assessment
Hazard Classes and Categories
Acute Tox. 4 (99.9%)
Acute toxicity (ingestion) - category 3
안전 데이터
- wgk
- 2
- tsca
- TSCA listed
- rtecs
- GV6735000
- ridadr
화학 및 산업
약리 정보
Cellular LocationsExtracellular
용도 및 제조
U.S. Production2023: 8,500,000 - <10,000,000 lb
Consumer UsesFragrance
Industry UsesFragrance
IFRA Fragrance Standards
Allyl 3-cyclohexylpropionate
Allyl 3-cyclohexylpropionate; 2-Propen-1-yl cyclohexanepropionate; Allyl 3-cyclohexylpropanoate; Allyl beta-cyclohexylpropionate; Allyl β-cyclohexylpropionate; Allyl cyclohexanepropionate; Allyl cyclohexylpropionate; Allyl hexahydrophenylpropionate; Cyclohexanepropionic acid, 2-propenyl ester; Prop-2-enyl 3-cyclohexylpropanoate; Cyclohexylpropionic acid allyl ester
IFRA_STD_238.pdf
51
IFRA 51st Amendment - Guidance for the use of IFRA Standards
Restriction: This material should be used only in the limited quantity as stated in the Standard_Specification: This material should be used only if it meets the criteria stated in the Standard
Household ProductsInformation on 120 consumer products that contain Allyl Cyclohexylpropionate in the following categories is provided:
Use Classification
Fragrance Ingredients
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
General Manufacturing Information
Plastics Material and Resin Manufacturing
Cyclohexanepropanoic acid, 2-propen-1-yl ester: ACTIVE
Restriction Limits in the Finished Product (%)
0.085 [Products applied to the lips]
관련 반응
0건
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