Methyl 1-methoxy-2-naphthoate

HCID 4640332

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Basic information

CAS: 6039-59-4
Standard SMILES: COC(=O)c1ccc2ccccc2c1OC
InChIKey: IKYRLYKWULPUNA-UHFFFAOYSA-N
Molecular formula: C13H12O3
Average molar mass: 216.23 g/mol
Monoisotopic mass: 216.07864424

Names & identifiers

Preferred name: Methyl 1-methoxy-2-naphthoate
IUPAC: methyl 1-methoxynaphthalene-2-carboxylate
English name: Methyl 1-methoxy-2-naphthoate
Molecular formula: C13H12O3
Molecular weight: 216.23

Names & synonyms

Methyl 1-methoxy-2-naphthoate6039-59-4Methyl 1-methoxynaphthalene-2-carboxylate1-Methoxy-2-naphthoic acid methyl esterSCHEMBL5963449DTXSID30405100MFCD00666466Methyl 1-methoxy-naphthalene-2-carboxylateMETHYL1-METHOXY-2-NAPHTHOATE2-Naphthalenecarboxylic acid, 1-methoxy-, methyl esterAKOS024319445Methyl 1-methoxy-2-naphthoate, 98%

Show more names

methyl1-methoxynaphthalene-2-carboxylate

AS-87545DB-072787G71752F783921Q63408873

Database identifiers

CAS: 6039-59-4
PubChem CID: 4640332
DTXSID: DTXSID30405100
Nikkaji: J47.501G

Properties

Computed structural properties

XLogP: 3
Topological polar surface area: 35.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 3
Heavy atoms: 16
Formal charge: 0
Complexity: 252

Physicochemical properties

Melting point: 127 · 127-128 °C
Boiling point: 320 °C · 320 °C (lit.)
Density: 1.17 g/mL · 1.17 g/mL at 25 °C (lit.)
refractive index: 20 · n20/D 1.603(lit.)
Flash point: 230 °F · >230 °F
Specific Gravity: 1.17 · 1.17
InChI: 1S/C13H12O3/c1-15-12-10-6-4-3-5-9(10)7-8-11(12)13(14)16-2/h3-8H,1-2H3
InChIKey: IKYRLYKWULPUNA-UHFFFAOYSA-N
SMILES: COC(=O)c1ccc2ccccc2c1OC
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
PPE: Eyeshields, Gloves
WGK Germany: 3 · 3
Storage Class: 10 · 10 - Combustible liquids

Safety & regulation

Safety data

PPE: Eyeshields, Gloves
wgk: 3
Storage Class: 10 - Combustible liquids

Chemistry & industry

Applications

UsesMethyl 1-methoxy-2-naphthoate may be used to synthesize a precursor, required for the preparation of a naphthopyran derivative and (3,4-dihydro-3,3-dimethyl-2H-naphtho[2,3-b]pyran-5,10-dione).

General DescriptionMethyl 1-methoxy-2-naphthoate is an aromatic ester.