基本情報
- CAS
128-50-7- 標準SMILES
CC1(C)C2CC=C(CCO)C1C2- InChIKey
ROKSAUSPJGWCSM-UHFFFAOYSA-N- 分子式
- C11H18O
- 平均分子量
- 166.26 g/mol
- 単同位体質量
- 166.1357652
概要
nopol has been reported in Daucus carota with data available.
名称と識別子
- 優先名称
- Nopol
- IUPAC
- 2-(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)ethanol
- 現地名
- 6,6-ジメチルノルピナン-2-エン-2-エタノール
- 英語名
- NOPOL
- 分子式
- C11H18O
- 分子量
- 166.26
名称と別名
Nopol128-50-7Nopol (terpene)6,6-Dimethyl-2-norpinene-2-ethanolBicyclo[3.1.1]hept-2-ene-2-ethanol, 6,6-dimethyl-XK8HU7WJQCBicyclo(3.1.1)hept-2-ene-2-ethanol, 6,6-dimethyl-DTXSID108617802-(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)ethanol2-(6,6-dimethyl-2-bicyclo(3.1.1)hept-2-enyl)ethanolRefChem:854687DTXCID00810661
名称をさらに表示
6,6-ジメチルノルピナン-2-エン-2-エタノール6,6-ジメチルビシクロ[3.1.1]ヘプタ-2-エン-2-エタノールノポール【テルペン】ホモミレテノールピナ-2-エン-10-メタノール2-(6,6-ジメチルビシクロ[3.1.1]ヘプタ-2-エン-2-イル)エタノールノポール2-(2-ヒドロキシエチル)-6,6-ジメチルビシクロ[3.1.1]ヘプタ-2-エン2-ヒドロキシエチル-6，6-ジメチル-ビシクロ-［3?1?1］-ヘプト-2-エンHomomyrtenolNOPOL 98%nopol(terpene)METHYLOL PINENE10-HYDROXYMETHYLENE-2-PINENE6-dimethyl-2-norpinene-2-ethano6,6-dimethyl-2-norpinene-2-ethano
204-890-32-{6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl}ethan-1-ol6,6-Dimethyl-2-(2-hydroxyethyl)-2-norpineneHomomyretenol2-Norpinene-2-ethanol,6-dimethyl-MFCD000664196,6-DIMETHYLBICYCLO(3.1.1)HEPT-2-ENE-2-ETHANOLBicyclo[3.1.1]hept-2-ene-2-ethanol,6-dimethyl-
物性
構造計算による物性
- XLogP
- 2.1
- 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
- 2
- 重原子数
- 12
- 形式電荷
- 0
- 複雑度
- 215
実験および物理化学的性質
PolymersOther Classes -> Alcohols and Polyols, Other
FragrancesFragrance Ingredient (Nopol) -> IFRA transparency List
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.965-0.973
Flavoring AgentsEU Flavoring substances
Solubility
Insoluble in water; soluble in organic solvents and oils
Miscible at room temperature (in ethanol)
Boiling Point
230.00 to 240.00 °C. @ 760.00 mm Hg
230 °C
Refractive Index1.490-1.500
Physical Description
Colorless viscous liquid; [Acros Organics MSDS]
Colroless, slight viscous liquid; mild woody camphoraceous odour
物理化学的性質
- 沸点
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]
P261, P264, P264+P265, P270, P272, P273, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 283 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
危険有害性情報
Regulatory Information
Chemical: Bicyclo[3.1.1]hept-2-ene-2-ethanol, 6,6-dimethyl-
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Bicyclo3.1.1hept-2-ene-2-ethanol, 6,6-dimethyl-: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryA moderate skin irritant; [RTECS] Safe when used as a flavoring agent in food; [JECFA] An irritant; [Acros Organics MSDS]
Hazard Classes and CategoriesAcute Tox. 4 (100%)
安全データ
- wgk
- WGK 3
- tsca
- TSCA listed
- 毒性
- mouse,LD50,intramuscular,500mg/kg (500mg/kg),Journal of Scientific and Industrial Research, Section C: Biological Sciences. Vol. 21, Pg. 342, 1962.
- risk_code
- 22
- hazard_code
- Xn
- Hazard Classifications
- Acute Tox. 4 Oral
- ストレージクラス
- 10 - Combustible liquids
化学と産業
薬理情報
Cellular LocationsExtracellular
用途と製造
UsesPresent in carrot root oil; Used to make pesticides, soaps, detergents, and other household products; [Merck Index] Used as a flavoring agent; [FDA]
Use Classification
Fragrance Ingredients
Flavoring Agents -> JECFA Flavorings Index
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
General Manufacturing InformationBicyclo[3.1.1]hept-2-ene-2-ethanol, 6,6-dimethyl-: ACTIVE
応用分野
天然物の起源Reported found in carrots
使用Nopol is by and large confined to woody and piney fragrance types, in which it may be the chief ingredient or "carrier". But its own odor contribution is very limited, and the title material will ruin almost any floral note if the Nopol is used at higher levels of concentration.
上流・下流製品情報
上流原料
下流製品
関連反応
9 件
化合物ノート
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