기본 정보
- 표준 SMILES
CCC(=O)OC(C)(C)C1CC=C(C)CC1- InChIKey
CMKQOKAXUWQAHG-UHFFFAOYSA-N- 분자식
- C13H22O2
- 평균 분자량
- 210.31 g/mol
- 단동위원소 질량
- 210.16197994
개요
Alpha-Terpineol propanoate is a p-menthane monoterpenoid.
이름 및 식별자
- 우선 이름
- Terpinyl propionate
- IUPAC
- 2-(4-methylcyclohex-3-en-1-yl)propan-2-yl propanoate
- 현지명
- 테르피닐프로피오네이트
- 영어명
- TERPINYL PROPIONATE
- 분자식
- C13H22O2
- 분자량
- 210.31
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
62395-45-3、80-27-3- PubChem CID
- 62328
- DTXSID
DTXSID3044833- ChEMBL
CHEMBL3188389- ChEBI
CHEBI:174065- UNII
- 7JE9M43B3K
- EC Number
- 201-266-2、263-530-3
- Nikkaji
- J141.005I
물성
구조 계산 물성
- XLogP
- 2.9
- 극성 표면적
- 26.3 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 15
- 형식 전하
- 0
- 복잡도
- 264
실험 및 물리화학적 성질
Solubility
soluble in glycerol; slightly soluble in propylene glycol; insoluble in water; miscible with alcohol, chloroform, ether, most fixed oils
1 ml in 2 ml 80% alcohol (in ethanol)
Boiling Point
274.00 to 275.00 °C. @ 760.00 mm Hg
240 °C
물리화학적 성질
- 끓는 점
- 240 °C · 240 °C(lit.)
- 밀도
- 0.949 g/mL · 0.949 g/mL at 25 °C(lit.)
- 굴절률
- 20 · n20/D 1.464(lit.)
- FEMA
- 3053 · 3053 | TERPINYL PROPIONATE
- 인화점
- 71 °C · 71 °C
- 용해도
- Practically insoluble in water, soluble in alcohol and oils
- 물리적 상태
- oily liquid
- Specific Gravity
- 0.95 · 0.95
- 색상
- Colorless
- 냄새
- 100 %에서 · 100.00%에서. 풀의 녹색 오래된 나무 감귤류 제라늄 열대의
- 냄새 유형
- 녹색
- JECFA Number
- 369 · 369
- 화장품 원료 기능
- 향수
- LogP
- 4.2 · 4.20
- EPA
- 3 · 3-Cyclohexene-1-methanol, .alpha.,.alpha.,4-trimethyl-, propanoate (80-27-3)
화학적 성질
Terpinyl propionate has a somewhat floral, lavender note with a bitter flavor
안전 및 규제
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 98.9% (92 of 93) of all reports.
Not Classified
Aggregated GHS information provided per 93 reports by companies from 2 notifications to the ECHA C&L Inventory.
유해성 정보
Regulatory Information
Chemical: 3-Cyclohexene-1-methanol, .alpha.,.alpha.,4-trimethyl-, propanoate
Chemical: Terpineol, propanoate
3-Cyclohexene-1-methanol, .alpha.,.alpha.,4-trimethyl-, propanoate: Does not have an individual approval but may be used under an appropriate group standard
Other Safety Information
Evaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
IMAP assessments - 3-Cyclohexene-1-methanol, .alpha.,.alpha.,4-trimethyl-, propanoate: Environment tier I assessment
안전 데이터
- wgk
- 2
- tsca
- TSCA listed
- 독성
- Both the acute oral LD50 value in rats and the acute dermal LD50 value in rabbits exceeded 5 g/kg (Moreno, 1973).
화학 및 산업
약리 정보
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
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
General Manufacturing Information
3-Cyclohexene-1-methanol, .alpha.,.alpha.,4-trimethyl-, 1-propanoate: ACTIVE
Terpineol, propanoate: INACTIVE
응용 분야
출처Reported found in citrus fruit and celery; also the racemic form (dl) has been identified in cardamom.
용도Alpha-Terpineol propanoate has acquired fame as a modifier for Lavender and Bergamot but it is really no match for Linalyl acetate or Ethyl Iinalyl acetate except that the Terpinyl propionate is very stable in alkaline media. It is therefore often used in soap, where its low cost is also appreciated. It finds a little use in fruit complex flavor compositions, mainly in Citrus fruits, Lime, Spice (Cardamom) etc. The concentration will be about 1 to 10 ppm in the finished product.
제조 방법
By esterification of terpineols.
상·하류 제품 정보
상류 원료
하류 제품
공급사18 곳
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