基本情報
- CAS
111957-74-5- 標準SMILES
CC1(C)C2CC=C(CO)C1C2- InChIKey
RXBQNMWIQKOSCS-UHFFFAOYSA-N- 分子式
- C10H16O
- 平均分子量
- 152.23 g/mol
- 単同位体質量
- 152.12011513
概要
myrtenol has been reported in Artemisia thuscula, Alpinia latilabris, and other organisms with data available.
名称と識別子
- 優先名称
- (+-)-Myrtenol
- IUPAC
- (6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methanol
- 現地名
- ピナ-2-エン-10-オール
- 英語名
- (-)-MYRTENOL
- 分子式
- C10H16O
- 分子量
- 152.23
名称と別名
Myrtenol515-00-42-PINEN-10-OLBicyclo[3.1.1]hept-2-ene-2-methanol, 6,6-dimethyl-FEMA No. 34396,6-Dimethylbicyclo(3.1.1)hept-2-ene-2-methanol6,6-Dimethylbicyclo[3.1.1]hept-2-ene-2-methanol(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methanolBicyclo(3.1.1)hept-2-ene-2-methanol, 6,6-dimethyl-DTXSID00862089pin-2-ene-10-ol6,6-dimethyl-2-oxymethylbicyclo(1.1.3)hept-2-ene
名称をさらに表示
2-ヒドロキシメチル-6,6-ジメチルビシクロ[3.1.1]ヘプタ-2-エン6,6-ジメチルビシクロ[3.1.1]ヘプタン-2-エン-2-メタノール6,6-ジメチルビシクロ[3.1.1]ヘプタ-2-エン-2-メタノールピナ-2-エン-10-オール7,7-ジメチルビシクロ[3.1.1]ヘプタ-2-エン-2-メタノールミルテノールベニヒノールミルテノ-ル(-)-Myrtenol(6,6-Dimethylbicyclo[3.1.1]hept-2-en-2-yl)methanolBenihinolNSC 408846(±)-Myrtenol(-)-MYRTENOL 97%Pina-2-ene-10-ol
(6,6-dimethyl-2-bicyclo(3.1.1)hept-2-enyl)methanol(+-)-MyrtenolRefChem:819777DTXCID00218168(6,6-dimethyl-4-bicyclo(3.1.1)hept-3-enyl)methanol208-193-5933-307-1(-)-MYRTENOL, 97
物性
構造計算による物性
- XLogP
- 1.6
- 極性表面積
- 20.2 Ų
- 水素結合供与体数
- 1
- 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
- 203
実験および物理化学的性質
LipidsLipids -> Prenol Lipids [PR] -> Isoprenoids [PR01] -> C10 isoprenoids (monoterpenes) [PR0102]
FragrancesFragrance Ingredient (Myrtenol) -> IFRA transparency List
LogP3.220
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.976-0.983
Flavoring AgentsEU Flavoring substances
Solubility
Insoluble in water and propylene glycol; soluble in oils
Miscible at room temperature (in ethanol)
Boiling Point
221.00 to 222.00 °C. @ 760.00 mm Hg
221 °C
Refractive Index1.490-1.500
Physical DescriptionColourless or pale straw-coloured liquid; Warm-herbaceous, slightly woody and discretely medicinal-camphoraceous odour of moderate to poor tenacity
物理化学的性質
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 1402 reports by companies from 1 notifications to the ECHA C&L Inventory.
危険有害性情報
Regulatory Information
Chemical: Bicyclo[3.1.1]hept-2-ene-2-methanol, 6,6-dimethyl-
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Bicyclo3.1.1hept-2-ene-2-methanol, 6,6-dimethyl-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Other Safety InformationIMAP assessments - Bicyclo[3.1.1]hept-2-ene-2-methanol, 6,6-dimethyl-: Human health tier I assessment
Hazard Classes and CategoriesAcute Tox. 4 (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
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
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
General Manufacturing InformationBicyclo[3.1.1]hept-2-ene-2-methanol, 6,6-dimethyl-: ACTIVE
応用分野
用途香料原料、有機合成原料。
天然物の起源Reported found in cranberry, bilberry, blackberry, raspberry, strawberry, Virginia tobacco, mandarin and lime peel oil, melon, ginger, peppermint and Scotch spearmint oil, pepper, parsley, Gruyere cheese, hop oil, Bourbon vanilla, cognac, tea, laurel, myrtle leaf, myrtle oil, buchu oil, lemon balm, lamb’s lettuce, Roman chamomile oil, eucalyptus oil and mastic gum and leaf oil.
使用Myrtenol (cas# 515-00-4) is used in mosquito attractant compositions.
調製方法
製造方法Can be obtained in d,l-form from α-pinene with SeO2 in ethanol.
上流・下流製品情報
上流原料
関連反応
4 件
化合物ノート
読み込み中…