基本情報
- CAS
13837-56-4- 標準SMILES
C=CC1(C)CCCC(C)(C)O1- InChIKey
NETOHYFTCONTDT-UHFFFAOYSA-N- 分子式
- C10H18O
- 平均分子量
- 154.25 g/mol
- 単同位体質量
- 154.1357652
概要
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.
名称と識別子
- 優先名称
- 2,6,6-Trimethyl-2-vinyltetrahydropyran
- IUPAC
- 2-ethenyl-2,6,6-trimethyloxane
- 現地名
- テトラヒドロ-2,6,6-トリメチル-2-エテニル-2H-ピラン
- 英語名
- LIMETOL
- 分子式
- C10H18O
- 分子量
- 154.25
名称と別名
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
名称をさらに表示
2,2,6-トリメチル-6-ビニルテトラヒドロ-2H-ピランリナロイルオキシドテトラヒドロ-2,6,6-トリメチル-2-エテニル-2H-ピランテトラヒドロ-2,6,6-トリメチル-2-ビニル-2H-ピランテトラヒドロ-2,2,6-トリメチル-6-ビニル-2H-ピラン2,6,6-トリメチル-2-ビニルテトラヒドロ-2H-ピラン2-エテニル-2,6,6-トリメチルテトラヒドロ-2H-ピラン2-エテニルテトラヒドロ-2,6,6-トリメチル-2H-ピラン2-エテニル-2,6,6-トリメチルオキサン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
データベース識別子
- 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
- Nikkaji
- J100.127B
物性
構造計算による物性
- XLogP
- 2.4
- 極性表面積
- 9.2 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 1
- 回転可能結合数
- 1
- 重原子数
- 11
- 形式電荷
- 0
- 複雑度
- 160
実験および物理化学的性質
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
物理化学的性質
- 沸点
- 50 °C · 50 °C(Press: 12 Torr)
- 比重(密度)
- 0.9458 g/cm3 · 0.9458 g/cm3
- 蒸気圧
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
GHS分類
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]
危険有害性情報
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%)
安全データ
- tsca
- TSCA listed
化学と産業
薬理情報
Cellular LocationsExtracellular
用途と製造
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
応用分野
天然物の起源Reported 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.
使用Limetol, 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.
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