Basic information
- CAS
85-90-5- Standard SMILES
Cc1coc2ccccc2c1=O- InChIKey
ABJKIHHNDMEBNA-UHFFFAOYSA-N- Molecular formula
- C10H8O2
- Average molar mass
- 160.17 g/mol
- Monoisotopic mass
- 160.05242949
Overview
Methylchromone is a member of chromones.
Names & identifiers
- Preferred name
- 3-Methylchromone
- IUPAC
- 3-methylchromen-4-one
- English name
- 3-Methylchromone
- Molecular formula
- C10H8O2
- Molecular weight
- 160.17
Names & synonyms
Methylchromone3-Methylchromone85-90-5Tricromyl3-Methyl-4(H)-chromen-4-oneMetilcromonaMethylchromonumMetilcromoneDTXSID4057845KJ0091KAAHNSC-76095DTXCID5031634
Show more names
Ketone methyl3-metil-cromone3-methyl-chromon
RefChem:818546201-641-03-methyl-4H-chromen-4-oneCromonalginaSpasmocromonaCrodimylDiacromone3-methylchromen-4-one
Database identifiers
- CAS
85-90-5- PubChem CID
- 66569
- DTXSID
DTXSID4057845- ChEMBL
CHEMBL2105215- ChEBI
CHEBI:134790- UNII
- KJ0091KAAH
- EC Number
- 201-641-0
- Nikkaji
- J4.257I
Properties
Computed structural properties
- XLogP
- 1.9
- 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
- 230
Experimental & physicochemical properties
SpringerMaterials PropertiesDiamagnetic susceptibility
Physicochemical properties
- Melting point
- 68 ° · 68°
- Boiling point
- 246.06 °C · 246.06°C (rough estimate)
- Density
- 1.0924 · 1.0924 (rough estimate)
- refractive index
- 1.53 · 1.5300 (estimate)
- form
- solid
- InChI
- 1S/C10H8O2/c1-7-6-12-9-5-3-2-4-8(9)10(7)11/h2-6H,1H3
- InChIKey
- ABJKIHHNDMEBNA-UHFFFAOYSA-N
- SMILES
- CC1=COc2ccccc2C1=O
- FDA UNII
- 91 KAAH · KJ0091KAAH
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 280 · P280-P305+P351+P338
- Hazard Codes
- Xn
- Risk Statements
- 22 · 22
- WGK Germany
- 3 · 3
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 4 Oral · Acute Tox. 4 Oral
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]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- wgk
- 3
- risk_code
- 22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302
- Hazard Classifications
- Acute Tox. 4 Oral
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Applications
Uses3-Methylchromone is an active compound which can be used in the prevention and research of anginose attacks of coronary origin[1].
Suppliers15 total
上海衡新化工科技有限公司13917104483; 13917104483 · [email protected]
河南赢创生物科技有限公司16650615803 · [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]
河南伊诺凯新材料有限公司13290191024 13290191024 · [email protected]
Shanghai Hanhong Scientific Co., Ltd.+undefined17612118332 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
箴德化工科技（上海）有限公司15601952568 · [email protected]
河南氢硅新材料科技有限公司00-18037331-859 18037331859 · [email protected]
上海陶术生物科技股份有限公司13564774135 · [email protected]
北京氪尔科技有限公司17710868586 · [email protected]
上海超岚化工科技中心（原上海巢莱）0-2022843681 15618226720 · [email protected]
武汉易谊化学科技有限公司0711-3617768 13308685235 · [email protected]
武汉爱默尔特科技有限公司027-888-4366503 13986279625 · [email protected]
TargetMol中国（陶术生物）4008200310 15002144251 · [email protected]
南京健傲医药科技有限公司18915922978 · [email protected]
Additional notes
DefinitionChEBI: Methylchromone is a member of chromones.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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