2,6,6-Trimethylbicyclo[3.1.1]heptan-3-carbaldehyd
Bicyclo[3.1.1]heptane-3-carboxaldehyde, 2,6,6-trimethyl-
Grundinformationen
- CAS
60113-43-1- Standard-SMILES
CC1C(C=O)CC2CC1C2(C)C- InChIKey
VUNCLQCPKWLBRY-UHFFFAOYSA-N- Summenformel
- C11H18O
- Durchschnittliche Molmasse
- 166,26 g/mol
- Monoisotopische Masse
- 166,13576519
Namen und Bezeichner
- Bevorzugter Name
- Bicyclo[3.1.1]heptane-3-carboxaldehyde, 2,6,6-trimethyl-
- IUPAC
- 2,6,6-trimethylbicyclo[3.1.1]heptane-3-carbaldehyde
- Lokaler Name
- 2,6,6-Trimethylbicyclo[3.1.1]heptan-3-carbaldehyd
- Englischer Name
- 2,6,6-trimethylbicyclo[3.1.1]heptane-3-carbaldehyde
- Summenformel
- C11H18O
- Molmasse
- 166.26
Namen und Synonyme
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
Weitere Namen anzeigen
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
Datenbank-Bezeichner
- CAS
60113-43-1- PubChem CID
- 108415
- DTXSID
DTXSID10866790- EC Number
- 262-062-7
- Nikkaji
- J298.780E
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,6
- Polarare Oberfläche (TPSA)
- 17,1 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 1
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 12
- Formalladung
- 0
- Komplexität
- 207
Physikochemische Eigenschaften
- Siedepunkt
- 223 ℃[at · 223℃[at 101 325 Pa]
- Dichte
- 0.952 · 0.952[at 20℃]
- Dampfdruck
- 3.2 Pa · 3.2Pa at 20℃
- Wasserlöslichkeit
- 46 mg/L · 46mg/L at 20℃
- Kosmetik-Inhaltsstoffe Funktionen
- PERFUMING
- LogP
- 4.2 at · 4.2 at 25℃
- EPA chemische Informationen
- 3.1 · Bicyclo[3.1.1]heptane-3-carboxaldehyde, 2,6,6-trimethyl- (60113-43-1)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
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.
Gefahrenhinweise
Regulatory Information
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%)
Regulatorische Informationen
Regulatory Information
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Status: Active Update: 31-07-2013 https://echa.europa.eu/registration-dossier/-/registered-dossier/10772
Sicherheitsdaten
- tsca
- TSCA listed
Chemie und Industrie
Verwendung und Herstellung
General Manufacturing InformationBicyclo[3.1.1]heptane-3-carboxaldehyde, 2,6,6-trimethyl-: ACTIVE
Anbieter4 Anbieter
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]
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