3-Isochromanone

Modify Date: 2026-06-30 16:47:30

3-Isochromanone Structure
3-Isochromanone structure
Common Name 3-Isochromanone
CAS Number 4385-35-7 Molecular Weight 148.159
Density 1.2±0.1 g/cm3 Boiling Point 332.6±31.0 °C at 760 mmHg
Molecular Formula C9H8O2 Melting Point 80-82 °C(lit.)
MSDS N/A Flash Point 137.7±22.2 °C

 Names

Name 3-Isochromanone
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.2±0.1 g/cm3
Boiling Point 332.6±31.0 °C at 760 mmHg
Melting Point 80-82 °C(lit.)
Molecular Formula C9H8O2
Molecular Weight 148.159
Flash Point 137.7±22.2 °C
Exact Mass 148.052429
PSA 26.30000
LogP 0.75
Vapour Pressure 0.0±0.7 mmHg at 25°C
Index of Refraction 1.562
InChIKey ILHLUZUMRJQEAH-UHFFFAOYSA-N
SMILES O=C1Cc2ccccc2CO1

 Safety Information

Hazard Codes Xi:Irritant;
Risk Phrases R36/37/38
Safety Phrases S26-S37/39
WGK Germany 3
HS Code 2932999099

 Synthetic Route

 Customs

HS Code 2932999099
Summary 2932999099. other heterocyclic compounds with oxygen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

 3-IsochromanoneBioassay

View more

Name: Octanol-water distribution coefficient, log D at pH 7.4 by shake-flask technique
Source: ChEMBL
Target: N/A
External Id: CHEMBL948522
Name: Enzyme Inhibition Assay from Article 10.1016/j.bmc.2006.06.050: "Synthesis and struct...
Source: BindingDB
Target: N/A
External Id: BindingDB_2739_1
Name: Hexadecane-water distribution coefficient, log D at pH 7.4 by shake-flask technique
Source: ChEMBL
Target: N/A
External Id: CHEMBL949564
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 Synonyms

1,4-dihydroisochromen-3-one
1,4-Dihydro-3H-2-benzopyran-3-one
3-IsochroManone
EINECS 224-493-9
1,4-Dihydro-3H-isochromen-3-one
MFCD00043005
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