Basic information
- CAS
5037-60-5- Standard SMILES
Cc1ccc(C)c2c1CCC2=O- InChIKey
GCZQTQUHBZZQAC-UHFFFAOYSA-N- Molecular formula
- C11H12O
- Average molar mass
- 160.21 g/mol
- Monoisotopic mass
- 160.088815
Names & identifiers
- Preferred name
- 4,7-Dimethyl-1-indanone
- IUPAC
- 4,7-dimethyl-2,3-dihydroinden-1-one
- English name
- 4,7-dimethyl-2,3-dihydroinden-1-one
- Molecular formula
- C11H12O
- Molecular weight
- 160.21
Names & synonyms
4,7-Dimethyl-1-indanone5037-60-54,7-dimethylindan-1-oneNSC-23641-Indanone, 4,7-dimethyl-2,3-dihydro-4,7-dimethyl-1H-inden-1-one445Z3A6WF6Indanone, 4,7-dimethyl-UNII-445Z3A6WF6DTXSID10277443RefChem:96736DTXCID00228601
Show more names
NSC 23642-(2-pyridinyl)propane-1,3-diol4,7-Dimethyl-2,3-dihydro-1H-indene-1-one
GCZQTQUHBZZQAC-UHFFFAOYSA-NInChI=1/C11H12O/c1-7-3-4-8(2)11-9(7)5-6-10(11)12/h3-4H,5-6H2,1-2H4,7-Dimethyl-2,3-dihydro-1H-inden-1-one4,7-dimethyl-2,3-dihydroinden-1-one1H-Inden-1-one, 2,3-dihydro-4,7-dimethyl-MFCD010983684,7-dimethyl-indan-1-one1H-Inden-1-one,2,3-dihydro-4,7-dimethyl-
Database identifiers
- CAS
5037-60-5- PubChem CID
- 220094
- DTXSID
DTXSID10277443- UNII
- 445Z3A6WF6
- EC Number
- 188-625-6
- Nikkaji
- J133.523E
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 197
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical shift
Physicochemical properties
- Melting point
- 78 · 78-79℃
- Boiling point
- 293 ℃ · 293℃
- Density
- 1.085 · 1.085
- Flash point
- 124 ℃ · 124℃
- storage temp.
- 2 · 2-8°C
- FDA UNII
- 445 Z3A6WF6 · 445Z3A6WF6
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers38 total
苏州哈诗维生物科技有限公司13951186658 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
宁波亿诺化学品有限公司86-574-27787657 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
上海钰康生物科技有限公司18939844854 · [email protected]
河南阿尔法化工有限公司0371-55013243 15324716602 · [email protected]
天津诺康医药科技有限公司022-23989838 13810451150 · [email protected]
天津雅奥博远科技有限公司022-18902014291 18902014291
上海遐瑞医药科技有限公司+86 21 61551611
Shanghai Hanhong Scientific Co., Ltd.+undefined17612118332 · [email protected]
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
北京蓝博特科技有限公司010-56330744 18310155299 · [email protected]
南京熙泽医药科技有限公司025-66023220 15250997978 · [email protected]
Related reactions
10 records
Compound notes
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