기본 정보
- CAS
2153-26-6- 표준 SMILES
CC1=CCC(C(C)(C)OC=O)CC1- InChIKey
IPYLQIQMGUZFCK-UHFFFAOYSA-N- 분자식
- C11H18O2
- 평균 분자량
- 182.26 g/mol
- 단동위원소 질량
- 182.13067981
개요
Alpha-Terpineol formate is a p-menthane monoterpenoid.
이름 및 식별자
- 우선 이름
- Terpinyl formate
- IUPAC
- 2-(4-methylcyclohex-3-en-1-yl)propan-2-yl formate
- 현지명
- 테르피닐포르메이트
- 영어명
- TERPINYL FORMATE
- 분자식
- C11H18O2
- 분자량
- 182.26
이름 및 동의어
Terpinyl formate2153-26-6p-1-Menthen-8-yl formatealpha-Terpinyl formateP-Menth-1-en-8-yl formateFEMA No. 3052P-Menth-1-en-8-ol, formatep-menth-1-en-8-yl-formateGTJ0954O31EINECS 218-444-0alpha,alpha,4-Trimethyl-3-cyclohexene-1-methyl formateTERPINYL FORMATE [FHFI]
이름 더 보기
테르피닐포르메이트FEMA 3052ALPHA TERPINYL FORMATEp-1-Menthen-8-ylformatep-menth-1-en-8-ylformatep-Menth-1-en-8-ylformiatFormic acid p-menth-1-en-8-yl esterTerpinyl formate, mixture of isomersp-menth-1-en-8-ol,formate(mixedisomers)TERPINYL FORMATE 97+% MIXTURE OF &
3-Cyclohexene-1-methanol, alpha,alpha,4-trimethyl-, formate.ALPHA.-TERPINYL FORMATEDTXSID208628493-Cyclohexene-1-methanol, .alpha.,.alpha.,4-trimethyl-, formate3-Cyclohexene-1-methanol, alpha,alpha,4-trimethyl-, 1-formate3-CYCLOHEXENE-1-METHANOL, .ALPHA.,.ALPHA.,4-TRIMETHYL-, 1-3-Cyclohexene-1-methanol, .alpha.,.alpha.,4-trimethyl-, 1-formateRefChem:891482
데이터베이스 식별자
물성
구조 계산 물성
- XLogP
- 2.4
- 극성 표면적
- 26.3 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 13
- 형식 전하
- 0
- 복잡도
- 216
실험 및 물리화학적 성질
FragrancesFragrance Ingredient (Terpinyl formate) -> IFRA transparency List
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.987-0.993 (15.5 °C)
Flavoring AgentsEU Flavoring substances
Solubility
very slightly
very slightly soluble in water
1 ml in 6 ml 60% alcohol (in ethanol)
Boiling Point
213.00 to 225.00 °C. @ 760.00 mm Hg
213-225 °C
Refractive Index1.467-1.473
Physical Descriptioncolourless liquid with a floral citrusy, tart, herbaceous odour
물리화학적 성질
- 끓는 점
- 220 °C · 220 °C(lit.)
- 밀도
- 0.981 g/mL · 0.981 g/mL at 25 °C(lit.)
- FEMA
- 3052 · 3052 | TERPINYL FORMATE
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 18.2% (294 of 1619) of reports.
H412 (79.4%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
P273, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 1619 reports by companies from 4 notifications to the ECHA C&L Inventory.
유해성 정보
Regulatory Information
Chemical: 3-Cyclohexene-1-methanol, .alpha.,.alpha.,4-trimethyl-, formate
3-Cyclohexene-1-methanol, .alpha.,.alpha.,4-trimethyl-, formate: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - 3-Cyclohexene-1-methanol, .alpha.,.alpha.,4-trimethyl-, formate: Environment tier I assessment
Hazard Classes and CategoriesAquatic Chronic 3 (79.4%)
안전 데이터
- wgk
- 2
- tsca
- TSCA listed
- rtecs
- OT0220000
- 독성
- Both the acute oral LD50 value in rats and the acute dermal LD50 value in rabbits exceeded 5 g/kg (Moreno, 1976).
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36
- 기존화학 물질
- KE-34465
화학 및 산업
약리 정보
Cellular LocationsExtracellular
용도 및 제조
Use Classification
Fragrance Ingredients
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
General Manufacturing Information3-Cyclohexene-1-methanol, .alpha.,.alpha.,4-trimethyl-, 1-formate: ACTIVE
응용 분야
출처Reported present in Ceylon cardamom essential oil.
용도Terpinyl formate finds some use in Citrus-colognes, in support of Neroli notes, Lavender-Bergamot-notes, green notes, etc. It is also used in certain topnote compositions with Citrus oils and "green" materials.
제조 방법
By cold formylation of terpineol, using formic-acetic anhydride (Arctander, 1969). Uses: In public use before the 1920s. Use in fragrances in the USA amounts to approximately 10001b/yr.
공급사6 곳
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
陕西缔都医药化工有限公司029-029-81120477 17792793610 · [email protected]
BOC Sciences[email protected]
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