기본 정보
- CAS
10581-37-0- 표준 SMILES
CC(=O)OC(C)(C)C1CC=C(C)CC1- InChIKey
IGODOXYLBBXFDW-UHFFFAOYSA-N- 분자식
- C12H20O2
- 평균 분자량
- 196.29 g/mol
- 단동위원소 질량
- 196.14632988
개요
Alpha-Terpinyl acetate is a p-menthane monoterpenoid.
이름 및 식별자
- 우선 이름
- alpha-Terpinyl acetate
- IUPAC
- 2-(4-methylcyclohex-3-en-1-yl)propan-2-yl acetate
- 현지명
- 초산테피닐
- 영어명
- Terpinyl acetate
- 분자식
- C12H20O2
- 분자량
- 196.29
이름 및 동의어
ALPHA-TERPINYL ACETATE2-(4-methylcyclohex-3-en-1-yl)propan-2-yl acetatealpha-Terpineol acetatep-Menth-1-en-8-yl acetatep-Menth-1-en-8-ol, acetatealpha-Terpineol, acetate.alpha.-Terpinyl acetateDTXSID2026496.alpha.-Terpineol acetateTerpinyl acetate (natural)EINECS 201-265-7EINECS 234-183-5
이름 더 보기
초산테피닐테피닐아세테이트Terpineol acetateTerpenyl acetatea-Terpinyl acetateà-terpinyl acetate4-Terpinyl acetate(±)-α-Terpinyl acetateFEMA 3047TERPINYL ACETATE
3-Cyclohexene-1-methanol, alpha,alpha,4-trimethyl-, acetateBRN 3198769AI3-00522DTXCID5064963-Cyclohexene-1-methanol, .alpha.,.alpha.,4-trimethyl-, acetateEC 201-265-7.ALPHA.-TERPINEOL, ACETATE4-06-00-00253 (Beilstein Handbook Reference)
데이터베이스 식별자
- CAS
10581-37-0、80-26-2、8007-35-0- PubChem CID
- 111037
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
- 14
- 형식 전하
- 0
- 복잡도
- 251
실험 및 물리화학적 성질
LipidsLipids -> Prenol Lipids [PR] -> Isoprenoids [PR01] -> C10 isoprenoids (monoterpenes) [PR0102]
FragrancesFragrance Ingredient (alpha-Terpineol acetate) -> IFRA transparency List
Density0.953-0.962
Flavoring AgentsEU Flavoring substances
Solubility
soluble in alcohol, most fixed oils, propylene glycol, mineral oil; slightly soluble in glycerol; insoluble in water
1 ml in 5 ml 70% alcohol (in ethanol)
Endocrine DisruptorsPotential endocrine disrupting compound
Boiling Point
115.00 °C. @ 2.00 mm Hg
220 °C
Refractive Index1.464-1.467
Physical Description
Liquid; CBI
colourless liquid with a sweet, refreshing, herbaceous odour
물리화학적 성질
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 12.4% (240 of 1929) of reports.
H411 (84.6%): 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 1929 reports by companies from 8 notifications to the ECHA C&L Inventory.
유해성 정보
Regulatory Information
Chemical: 3-Cyclohexene-1-methanol, .alpha.,.alpha.,4-trimethyl-, acetate
3-Cyclohexene-1-methanol, .alpha.,.alpha.,4-trimethyl-, 1-acetate is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 3-Cyclohexene-1-methanol, .alpha.,.alpha.,4-trimethyl-, 1-acetate 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: p-menth-1-en-8-yl acetate (EC: 201-265-7)
Terpinyl acetate: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesAquatic Chronic 2 (84.6%)
안전 데이터
- wgk
- 2
- tsca
- TSCA listed
- rtecs
- OT0200000
- 독성
- The acute oral LD50 value in rats was reported as 5.075 g/kg (Jenner, Hagan, Taylor, Cook & Fitzhugh, 1964).
- HS 번호
- 29153900
- risk_code
- 36/38
- hazard_code
- Xi
- safety_code
- 26-36
- 기존화학 물질
화학 및 산업
약리 정보
Cellular LocationsExtracellular
용도 및 제조
U.S. Production2023: 8,500,000 - <10,000,000 lb
Consumer UsesFragrance
Industry UsesOther
Household ProductsInformation on 49 consumer products that contain A-Terpinyl Acetate in the following categories is provided:
Use Classification
Fragrance Ingredients
Flavoring Agents -> JECFA Flavorings Index
General Manufacturing Information
Fabricated Metal Product Manufacturing
3-Cyclohexene-1-methanol, .alpha.,.alpha.,4-trimethyl-, 1-acetate: ACTIVE
응용 분야
출처Reported in over 40 essential oils, including cypress, Malabar cardamom, cajeput niaouli, Siberian pine needles, pine, Melaleuca trichostachya, Melaleuca pauciflora and others; also identified in the essential oils of bitter orange (Fenarolfs Handbook of Flavor Ingredients, 1971 ; Gildemeister & Hoffman, 1966). Terpinyl Acetate is found in Pine oil, Cajeput oil, Pine needle oil, Cardamom oil and other essential oils.
용도Perfumes, flavoring agent.
일반 설명Α-Terpinyl acetate, a monoterpene ester, is a commercially important fragrance molecule. It can be prepared from α-pinene in the presence of H-beta zeolite catalysts. The essential oils obtained from Stachys setifera ssp. iranica, Chamaecyparis obtuse leaves and Thymus willkomii contain Α-terpinyl acetate as one of the main components.
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