8-Methylcoumarin

HCID 15734
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Basic information

CAS
1807-36-9
Standard SMILES
Cc1cccc2ccc(=O)oc12
InChIKey
VSIIJVGRUZNHCF-UHFFFAOYSA-N
Molecular formula
C10H8O2
Average molar mass
160.17 g/mol
Monoisotopic mass
160.0524295

Names & identifiers

Preferred name
8-Methylcoumarin
IUPAC
8-methylchromen-2-one
English name
8-methylcoumarin
Molecular formula
C10H8O2
Molecular weight
160.17

Names & synonyms

8-Methylcoumarin8-Methyl-2H-1-benzopyran-2-one2H-1-Benzopyran-2-one, 8-methyl-COUMARIN, 8-METHYL-BRN 0121434UNII-V8PST2379YV8PST2379YDTXSID601709955-17-10-00170 (Beilstein Handbook Reference)RefChem:107267DTXCID90934862H-1-Benzopyran-2-one, 8-methyl-(9CI)
Show more names
VSIIJVGRUZNHCF-UHFFFAOYSA-N8-Methyl-2H-chromen-2-one1807-36-98-Methyl coumarin8-methylchromen-2-one2H-1-Benzopyran-2-one, 8-methyl- (9CI)SCHEMBL8369248-Methyl-2H-chromen-2-one #

Database identifiers

CAS
1807-36-9
PubChem CID
15734
DTXSID
DTXSID60170995
UNII
V8PST2379Y
Nikkaji
J150.430D

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

Physicochemical properties

Melting point
110.5 °C · 110.5°C
Boiling point
246.06 °C · 246.06°C (rough estimate)
Density
1.0924 · 1.0924 (rough estimate)
refractive index
1.53 · 1.5300 (estimate)
LogP
1.85 · 1.850 (est)
FDA UNII
8 PST2379Y · V8PST2379Y

Safety & regulation

Safety data

Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H302-H315-H319-H335
Precautionary statements
P280-P305+P351+P338

Chemistry & industry

Upstream & downstream products

Suppliers1 total

BOC Sciences[email protected]

Related reactions

7 records
New reaction record

Compound notes

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