Basic information
- CAS
58621-51-5- Standard SMILES
CC(=O)c1ccc2c(c1)CC(C)O2- InChIKey
MORJCRDAGOARLY-UHFFFAOYSA-N- Molecular formula
- C11H12O2
- Average molar mass
- 176.21 g/mol
- Monoisotopic mass
- 176.08372962
Names & identifiers
- Preferred name
- 1-(2-Methyl-2,3-dihydro-1-benzofuran-5-yl)ethan-1-one
- IUPAC
- 1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)ethanone
- English name
- 1-(2,3-Dihydro-2-methyl-1-benzofuran-5-yl)ethan-1-one
- Molecular formula
- C11H12O2
- Molecular weight
- 176.21
Names & synonyms
58621-51-51-(2-Methyl-2,3-dihydro-1-benzofuran-5-yl)ethan-1-oneDTXSID10974162RefChem:422453DTXCID101401597882-360-65-Acetyl-2-methylcoumaran1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)ethanone1-(2-methyl-2,3-dihydrobenzofuran-5-yl)ethanone5-Acetyl-2,3-dihydro-2-methylbenzo[b]furanMFCD001686795-ACETYL-2,3-DIHYDRO-2-METHYLBENZOFURAN
Show more names
5-Acetyl-2,3-dihydro-2-methylbenzo[b]furan 95+%Ethanone, 1-(2,3-dihydro-2-methyl-5-benzofuranyl)-1-(2-methyl-2,3-dihydrobenzofuran-5-yl)ethan-1-one1-(2,3-Dihydro-2-methyl-1-benzofuran-5-yl)ethan-1-one1-(2,3-Dihydro-2-methyl-1-benzofuran-5-yl)ethan-1-one, 5-Acetyl-2,3-dihydro-2-methyl-1-benzofuran
5-acetyl-2-methyl coumaranSCHEMBL1092598MORJCRDAGOARLY-UHFFFAOYSA-NICA62151AKOS000111855AKOS022488557VS-08720DB-122258
Database identifiers
- CAS
58621-51-5- PubChem CID
- 42799
- DTXSID
DTXSID10974162- EC Number
- 882-360-6
- Nikkaji
- J2.103.537H
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 212
Physicochemical properties
- Boiling point
- 163 · 163-164 °C(Press: 20 Torr)
- Density
- 1.093 · 1.093±0.06 g/cm3(Predicted)
- form
- solid
- InChI
- 1S/C11H12O2/c1-7-5-10-6-9(8(2)12)3-4-11(10)13-7/h3-4,6-7H,5H2,1-2H3
- InChIKey
- MORJCRDAGOARLY-UHFFFAOYSA-N
- SMILES
- CC1Cc2cc(ccc2O1)C(C)=O
- UNSPSC Code
- 12352200 · 12352200
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H319-H315
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
- WGK Germany
- 3 · WGK 3
- HS Code
- 2932190090 · 2932190090
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 4 Oral · Acute Tox. 4 Oral
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (50%)
Safety data
- wgk
- WGK 3
- hs_code
- 2932190090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H335-H319-H315
- Hazard Classifications
- Acute Tox. 4 Oral
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Suppliers6 total
Aladdin Scientific[email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
箴德化工科技（上海）有限公司15601952568 · [email protected]
北京珐默兹医药科技有限公司15811073878 · [email protected]
苏州越恒医药科技有限公司15962211760 · [email protected]
合肥钼凯医药科技有限公司18001872185; 18001872185 · [email protected]
Related reactions
1 records
Compound notes
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