Basic information
- CAS
54120-64-8- Standard SMILES
Cc1ccc2c(c1)COC2=O- InChIKey
BXAHGSPNVLQIJJ-UHFFFAOYSA-N- Molecular formula
- C9H8O2
- Average molar mass
- 148.16 g/mol
- Monoisotopic mass
- 148.05242949
Names & identifiers
- Preferred name
- 5-Methyl-3H-2-benzofuran-1-one
- IUPAC
- 5-methyl-3H-2-benzofuran-1-one
- English name
- 5-Methyl-1,3-dihydroisobenzofuran-1-one
- Molecular formula
- C9H8O2
- Molecular weight
- 148.16
Names & synonyms
54120-64-85-methyl-3H-2-benzofuran-1-oneDTXSID60202467RefChem:1073120DTXCID601249585-Methylisobenzofuran-1(3H)-one5-METHYL-3H-ISOBENZOFURAN-1-ONE5-Methyl-1,3-dihydroisobenzofuran-1-one5-MethylphthalideMFCD115059631(3H)-Isobenzofuranone, 5-methyl-5-methyl-1,3-dihydro-2-benzofuran-1-one
Show more names
5-Methyl-2-benzofuran-1(3H)-one5-METHYL-1(3H)-ISOBENZOFURANONE5-Methylphthalide, 1(3H)-Isobenzofuranone, 5-methyl-, CID41013, 5-Methyl-2-benzofuran-1(3H)-one, I14-5081, InChI=1/C9H8O2/c1-6-2-3-8-7(4-6)5-11-9(8)10/h2-4H,5H2,1H, 54120-64-8SCHEMBL69955185-methyl-3H-2-benzofuran-l-oneECA12064AKOS0063254575-Methyl-2-benzofuran-1(3H)-one #
Database identifiers
- CAS
54120-64-8- PubChem CID
- 41013
- DTXSID
DTXSID60202467- EC Number
- 113-607-1
- Nikkaji
- J103.245C
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 176
Physicochemical properties
- Melting point
- 104 · 104-106 °C
- Boiling point
- 329.2 · 329.2±41.0 °C(Predicted)
- Density
- 1.211 · 1.211±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- Appearance
- White to off-white Solid
- LogP
- 1.554 · 1.554 (est)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+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 CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
Uses5-Methyl-1,3-dihydroisobenzofuran-1-one is a reagent used in the synthesis of γ-lactones.
Suppliers40 total
韶远科技(上海)有限公司4000665055 · [email protected]
武汉敬康恩生物医药科技有限公司13720134139 086-15871494362 13720134139 · [email protected]
安徽勇晟医药科技有限公司3307 18017383231 · [email protected]
上海科斯克尔医药科技有限公司00000000 15021108835 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
欧利希（湖北）医药科技有限公司17316404525 17316404525 · [email protected]
上海健超生物科技有限公司15021035486 18081542813 · [email protected]
湖南汇百侍生物科技有限公司0731-85526065 13308475853 · [email protected]
北京伊诺凯科技有限公司15652467323 · [email protected]
上海健超生物科技有限公司150-2103-5486 18017383231 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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