Grundinformationen
- Standard-SMILES
CC1(C)C2CCC(C2)C1C(=O)O- InChIKey
KJKODDSNIDHCKV-UHFFFAOYSA-N- Summenformel
- C10H16O2
- Durchschnittliche Molmasse
- 168,23 g/mol
- Monoisotopische Masse
- 168,11502975
Namen und Bezeichner
- Bevorzugter Name
- Bicyclo(2.2.1)heptane-2-carboxylic acid, 3,3-dimethyl-
- IUPAC
- 3,3-dimethylbicyclo[2.2.1]heptane-2-carboxylic acid
- Lokaler Name
- 3,3-Dimethylbicyclo[2.2.1]heptan-2-carbonsure
- Englischer Name
- 3,3-dimethylbicyclo[2.2.1]heptane-2-carboxylic acid
- Summenformel
- C10H16O2
- Molmasse
- 168.23
Namen und Synonyme
52557-98-93,3-Dimethylbicyclo[2.2.1]heptane-2-carboxylic acidEINECS 258-006-6Bicyclo[2.2.1]heptane-2-carboxylic acid, 3,3-dimethyl-NSC 239115DTXSID60886009Bicyclo(2.2.1)heptane-2-carboxylic acid, 3,3-dimethyl-3,3-Dimethylbicyclo(2.2.1)heptane-2-carboxylic acidRefChem:568157DTXCID501025359258-006-6474-10-2
Weitere Namen anzeigen
474-09-9EINECS 207-479-7EINECS 207-480-2NSC2391153,3-dimethylbicyclo[2.2.1]heptane-2-carboxylicacidSCHEMBL6551752endo-3,3-Dimethylbicyclo(2.2.1)heptane-2-carboxylic acidexo-3,3-Dimethylbicyclo(2.2.1)heptane-2-carboxylic acid
Datenbank-Bezeichner
- CAS
474-09-9、474-10-2、52557-98-9- PubChem CID
- 99843
- DTXSID
DTXSID60886009- EC Number
- 207-479-7、207-480-2、258-006-6
- Nikkaji
- J295.695K
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,6
- Polarare Oberfläche (TPSA)
- 37,3 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 12
- Formalladung
- 0
- Komplexität
- 220
Physikochemische Eigenschaften
- EPA chemische Informationen
- 2.2 · Bicyclo[2.2.1]heptane-2-carboxylic acid, 3,3-dimethyl- (52557-98-9)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Gefahrenhinweise
Regulatory InformationPMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Hazard Classes and CategoriesAcute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)
Regulatorische Informationen
Regulatory InformationPMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Sicherheitsdaten
- tsca
- TSCA listed
Chemie und Industrie
Verwendung und Herstellung
General Manufacturing InformationBicyclo[2.2.1]heptane-2-carboxylic acid, 3,3-dimethyl-: ACTIVE
Vor- und nachgelagerte Produkte
Vorgelagerte Rohstoffe
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