Basic information
- CAS
6670-39-9- Standard SMILES
Cc1c(C)c(C)c2c(c1C)CC2O- InChIKey
XTTNGENCQQEHBU-UHFFFAOYSA-N- Molecular formula
- C12H16O
- Average molar mass
- 176.25 g/mol
- Monoisotopic mass
- 176.12011513
Names & identifiers
- Preferred name
- 2,3,4,5-Tetramethyl-bicyclo(4.2.0)octa-1(6),2,4-trien-7-OL
- IUPAC
- 2,3,4,5-tetramethylbicyclo[4.2.0]octa-1,3,5-trien-7-ol
- English name
- 2,3,4,5-Tetramethyl-bicyclo(4.2.0)octa-1(6),2,4-trien-7-ol
- Molecular formula
- C12H16O
- Molecular weight
- 176.25
Names & synonyms
2,3,4,5-TETRAMETHYL-BICYCLO(4.2.0)OCTA-1(6),2,4-TRIEN-7-OLRefChem:4416976670-39-9684-776-1NSC98469NSC-98469AKOS024322722Bicyclo[4.2.0]octa-1,3,5-trien-7-ol, 2,3,4,5-tetramethyl-
Database identifiers
- CAS
6670-39-9- PubChem CID
- 418092
- EC Number
- 684-776-1
- Nikkaji
- J2.338.422A
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 201
Physicochemical properties
- Boiling point
- 318.2 · 318.2±21.0 °C(Predicted)
- Density
- 1.082 · 1.082±0.06 g/cm3(Predicted)
- pka
- 14.46 · 14.46±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesEye Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Suppliers3 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
Sigma-Aldrich Japan K.K.[email protected]
SIGMAALDRICH—
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…