2,6,6-トリメチルビシクロ[3.1.1]ヘプタン-3-カルボアルデヒド

Bicyclo[3.1.1]heptane-3-carboxaldehyde, 2,6,6-trimethyl-

HCID 108415

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 60113-43-1
標準SMILES: CC1C(C=O)CC2CC1C2(C)C
InChIKey: VUNCLQCPKWLBRY-UHFFFAOYSA-N
分子式: C11H18O
平均分子量: 166.26 g/mol
単同位体質量: 166.13576519

名称と識別子

優先名称: Bicyclo[3.1.1]heptane-3-carboxaldehyde, 2,6,6-trimethyl-
IUPAC: 2,6,6-trimethylbicyclo[3.1.1]heptane-3-carbaldehyde
現地名: 2,6,6-トリメチルビシクロ[3.1.1]ヘプタン-3-カルボアルデヒド
英語名: 2,6,6-trimethylbicyclo[3.1.1]heptane-3-carbaldehyde
分子式: C11H18O
分子量: 166.26

名称と別名

2,6,6-TRIMETHYLBICYCLO[3.1.1]HEPTANE-3-CARBALDEHYDEEINECS 262-062-72,6,6-Trimethylbicyclo(3.1.1)heptane-3-carbaldehydeBicyclo[3.1.1]heptane-3-carboxaldehyde, 2,6,6-trimethyl-DTXSID10866790EC 262-062-7Bicyclo(3.1.1)heptane-3-carboxaldehyde, 2,6,6-trimethyl-RefChem:568220DTXCID80815033262-062-760113-43-1(+)-3-formylpinane

名称をさらに表示

3-ホルミルピネン2,6,6-トリメチルビシクロ[3.1.1]ヘプタン-3-カルボアルデヒド2,6,6-トリメチルビシクロ[3.1.1]ヘプタン-3-カルバルデヒド3-Formylpinenepinane carbaldehyde2,6,6-Trimethylbicyclo[3,3,1]heptane-3-carboxadehyde2,6,6-Trimethylbicyclo[3.1.1]heptane-3-carboxaldehyde

3-formylpinane(-)-3-formylpinaneSCHEMBL2852181DB-302495NS00003951

データベース識別子

CAS: 60113-43-1
PubChem CID: 108415
DTXSID: DTXSID10866790
EC Number: 262-062-7
Nikkaji: J298.780E

物性

構造計算による物性

XLogP: 2.6
極性表面積: 17.1 Å²
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: 12
形式電荷: 0
複雑度: 207

物理化学的性質

沸点: 223 ℃[at · 223℃[at 101 325 Pa]
比重(密度): 0.952 · 0.952[at 20℃]
蒸気圧: 3.2 Pa · 3.2Pa at 20℃
水溶解度: 46 mg/L · 46mg/L at 20℃
化粧品成分の機能: 香料
LogP: 4.2 at · 4.2 at 25℃
EPAの化学物質情報: 3.1 · Bicyclo[3.1.1]heptane-3-carboxaldehyde, 2,6,6-trimethyl- (60113-43-1)

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H226 (12.4%): Flammable liquid and vapor [Warning Flammable liquids]；H302 (66.5%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H317 (66.5%): May cause an allergic skin reaction [Warning Sensitization, Skin]；H411 (66.5%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

P210, P233, P240, P241, P242, P243, P261, P264, P270, P272, P273, P280, P301+P317, P302+P352, P303+P361+P353, P321, P330, P332+P317, P333+P317, P362+P364, P370+P378, P391, P403+P235, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 194 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

危険有害性情報

Regulatory Information · 2 件

PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

Status: Active Update: 31-07-2013 https://echa.europa.eu/registration-dossier/-/registered-dossier/10772

Hazard Classes and CategoriesFlam. Liq. 3 (12.4%)；Acute Tox. 4 (66.5%)；Skin Irrit. 2 (100%)；Skin Sens. 1A (66.5%)；Aquatic Chronic 2 (66.5%)

法規制情報

Regulatory Information · 2 件

PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

Status: Active Update: 31-07-2013 https://echa.europa.eu/registration-dossier/-/registered-dossier/10772

安全データ

tsca: TSCA listed

化学と産業

用途と製造

General Manufacturing InformationBicyclo[3.1.1]heptane-3-carboxaldehyde, 2,6,6-trimethyl-: ACTIVE

サプライヤー4 社

梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]

重庆福腾医药有限公司18696571988 · [email protected]

BOC Sciences[email protected]

XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]

化合物ノート

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