Basic information
- CAS
13524-76-0- Standard SMILES
CC1(C)C(=O)Oc2ccccc21- InChIKey
NETNPVWFZRPOFL-UHFFFAOYSA-N- Molecular formula
- C10H10O2
- Average molar mass
- 162.18 g/mol
- Monoisotopic mass
- 162.06807956
Names & identifiers
- Preferred name
- 2(3H)-Benzofuranone, 3,3-dimethyl-
- IUPAC
- 3,3-dimethyl-1-benzofuran-2-one
- English name
- 3,3-Dimethylbenzofuran-2(3H)-one
- Molecular formula
- C10H10O2
- Molecular weight
- 162.19
Names & synonyms
2(3H)-Benzofuranone, 3,3-dimethyl-3,3-Dimethyl-2(3H)-benzofuranoneDTXSID20159286RefChem:80460DTXCID4081777NETNPVWFZRPOFL-UHFFFAOYSA-N13524-76-03,3-Dimethylbenzofuran-2(3H)-one3,3-dimethyl-2,3-dihydro-1-benzofuran-2-one2,3-Dihydro-3,3-dimethylbenzofuran-2-one3,3-dimethyl-1-benzofuran-2-oneFT98YZ8E5D
Show more names
SCHEMBL3772113,3-Dimethyl-3H-benzofuran-2-one3,3-Dimethyl-1-benzofuran-2(3H)-one3,3-Dimethyl-1-benzofuran-2(3H)-one #DB-302262CS-0437175EN300-197063
Database identifiers
- CAS
13524-76-0- PubChem CID
- 595620
- DTXSID
DTXSID20159286- UNII
- FT98YZ8E5D
- EC Number
- 114-068-5
- Nikkaji
- J112.545A
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 208
Physicochemical properties
- Boiling point
- 101 · 101-102 °C(Press: 2 Torr)
- Density
- 1.122 · 1.122±0.06 g/cm3(Predicted)
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, 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.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Chemistry & industry
Suppliers1 total
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
Related reactions
12 records
Compound notes
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