기본 정보
- CAS
13837-56-4- 표준 SMILES
C=CC1(C)CCCC(C)(C)O1- InChIKey
NETOHYFTCONTDT-UHFFFAOYSA-N- 분자식
- C10H18O
- 평균 분자량
- 154.25 g/mol
- 단동위원소 질량
- 154.1357652
개요
Linaloyl oxide is a member of the class of oxanes carrying a vinyl substituent at position 2 as well as three methyl substituents at positions 2, 6 and 6. It is a member of oxanes and an olefinic compound.
이름 및 식별자
- 우선 이름
- 2,6,6-Trimethyl-2-vinyltetrahydropyran
- IUPAC
- 2-ethenyl-2,6,6-trimethyloxane
- 영어명
- LIMETOL
- 분자식
- C10H18O
- 분자량
- 154.25
이름 및 동의어
LIMETOL7392-19-02-ethenyl-2,6,6-trimethyloxane2,6,6-Trimethyl-2-vinyltetrahydropyranLinaloyl oxideBois de rose oxide2,2,6-Trimethyl-6-vinyltetrahydropyran2,2,6-Trimethyl-6-vinyltetrahydro-2H-pyran13837-56-42H-Pyran, 2-ethenyltetrahydro-2,6,6-trimethyl-GERANIC OXIDEFEMA No. 3735
이름 더 보기
FEMA 3735Lime cyclic ether2,6,6-TRIMETHYL-6-VINYLTETRAHYDROPYRAN
Tetrahydro-2,2,6-trimethyl-6-vinyl-2H-pyran2H-Pyran, tetrahydro-2,2,6-trimethyl-6-vinyl-2-Ethenyltetrahydro-2,6,6-trimethyl-2H-pyranLinalool 3,7-oxide2,6,6-Trimethyl-2-ethenyltetrahydropyran2,6,6-Trimethyl-2-ethenyltetrahydro-2H-pyranEINECS 230-983-3EINECS 237-550-8
데이터베이스 식별자
- CAS
13837-56-4、7392-19-0- PubChem CID
- 522514
- DTXSID
DTXSID8051338- ChEBI
CHEBI:132848- UNII
- V3824Q785M
- EC Number
- 230-983-3、237-550-8
물성
구조 계산 물성
- XLogP
- 2.4
- 극성 표면적
- 9.2 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 1
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 11
- 형식 전하
- 0
- 복잡도
- 160
실험 및 물리화학적 성질
Fragrances
Fragrance Ingredient ((.+-.)-Tetrahydro-2,6,6-trimethyl-2-vinyl-2H-pyrane) -> IFRA transparency List
Fragrance Ingredient (2,2,6-Trimethyl-6-vinyltetrahydropyran) -> IFRA transparency List
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.863-0.873
Flavoring AgentsEU Flavoring substances
Solubility
Insoluble in water; Soluble in fat
soluble (in ethanol)
Boiling Point22 °C (2.5 mm Hg)
Refractive Index1.442-1.452
Physical DescriptionClear liquid with a musty, earthy, terpineolic note
물리화학적 성질
- 끓는 점
- 50 °C · 50 °C(Press: 12 Torr)
- 밀도
- 0.9458 g/cm3 · 0.9458 g/cm3
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P264+P265, P273, P280, P303+P361+P353, P305+P351+P338, P337+P317, P370+P378, P403+P235, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 1287 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Warning
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
유해성 정보
Regulatory Information
Chemical: 2H-Pyran, 2-ethenyltetrahydro-2,6,6-trimethyl-
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Status: Active Update: 12-02-2016 https://echa.europa.eu/registration-dossier/-/registered-dossier/16867
2H-Pyran, 2-ethenyltetrahydro-2,6,6-trimethyl-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and Categories
Flam. Liq. 3 (100%)
Flam. Liq. 3 (100%)
안전 데이터
- tsca
- TSCA listed
화학 및 산업
약리 정보
Cellular LocationsExtracellular
용도 및 제조
Use Classification
Fragrance Ingredients
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 Information2H-Pyran, 2-ethenyltetrahydro-2,6,6-trimethyl-: ACTIVE
응용 분야
출처Reported found in chestnut flower, muscat grapes and lime oil. Also reported found in grapefruit juice (Vitis labrusca L.) papaya (Carica papaya L.), white wine, black tea, purple passion fruit, yellow passion fruit, cherimoya, buchu oil, clary sage and loganberry.
용도Limetol, is the cyclized derivative of linalool (L465950), melanol, and other unsaturated alcohols, that was shown to give a product mixture that can be used in fragrance and perfumery industry.
공급사2 곳
吉良化学21-62165282 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
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