Bicyclo[2.2.1]hept-5-ene-2-methanol, 5,6-dimethyl-1-(1-methylethenyl)-
Basic information
- CAS
110458-85-0- Standard SMILES
C=C(C)C12CC(CC1CO)C(C)=C2C- InChIKey
MLDAJXVVSUEALX-UHFFFAOYSA-N- Molecular formula
- C13H20O
- Average molar mass
- 192.3 g/mol
- Monoisotopic mass
- 192.15141526
Names & identifiers
- Preferred name
- Bicyclo[2.2.1]hept-5-ene-2-methanol, 5,6-dimethyl-1-(1-methylethenyl)-
- IUPAC
- (5,6-dimethyl-1-prop-1-en-2-yl-2-bicyclo[2.2.1]hept-5-enyl)methanol
- English name
- ARBOZOL
- Molecular formula
- C13H20O
- Molecular weight
- 192.3
Names & synonyms
110458-85-0Bicyclo[2.2.1]hept-5-ene-2-methanol, 5,6-dimethyl-1-(1-methylethenyl)-DTXSID008888405,6-Dimethyl-(1-methylethenyl)bicyclo(2.2.1)hept-5-ene-2-methanolBicyclo(2.2.1)hept-5-ene-2-methanol, 5,6-dimethyl-1-(1-methylethenyl)-RefChem:568110DTXCID401028112Bicyclo2.2.1hept-5-ene-2-methanol, 5,6-dimethyl-1-(1-methylethenyl)-(5,6-dimethyl-1-prop-1-en-2-yl-2-bicyclo[2.2.1]hept-5-enyl)methanolSCHEMBL296777MLDAJXVVSUEALX-UHFFFAOYSA-N[5,6-dimethyl-1-(prop-1-en-2-yl)bicyclo[2.2.1]hept-5-en-2-yl]methanol
Show more names
ARBOZOLwoody heptene5,6-Dimethyl-1-isopropenylbicyclo[2.2.1]-5-heptene-2-methanolBICYCLO[2.2.1]HEPT-5-ENE-2-METHANOL,5,6-DIMETHYL-1-(1-METHYLETHENYL)-
Database identifiers
- CAS
110458-85-0- PubChem CID
- 86114
- DTXSID
DTXSID00888840- Nikkaji
- J1.556.767H
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 313
Physicochemical properties
- Boiling point
- 260 · 260.0±19.0 °C(Predicted)
- Density
- 0.994 · 0.994±0.06 g/cm3(Predicted)
- pka
- 14.92 · 14.92±0.10(Predicted)
- Odor
- 100 % · at 100.00 %. fresh woody ozone clean outdoor
- Odor Type
- woody
- LogP
- 3.58 · 3.580
- EPA Substance Registry System
- 2.2 · Bicyclo[2.2.1]hept-5-ene-2-methanol, 5,6-dimethyl-1-(1-methylethenyl)- (110458-85-0)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory Information
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Bicyclo2.2.1hept-5-ene-2-methanol, 5,6-dimethyl-1-(1-methylethenyl)-: Does not have an individual approval but may be used under an appropriate group standard
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBicyclo[2.2.1]hept-5-ene-2-methanol, 5,6-dimethyl-1-(1-methylethenyl)-: ACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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