4-Methoxy-1-naphthaldehyde

HCID 85217

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Basic information

CAS: 15971-29-6
Standard SMILES: COc1ccc(C=O)c2ccccc12
InChIKey: MVXMNHYVCLMLDD-UHFFFAOYSA-N
Molecular formula: C12H10O2
Average molar mass: 186.21 g/mol
Monoisotopic mass: 186.06807956

Overview

used for fluorometric assays for isozymes of human alcohol dehydrogenase; structure given in first source

Names & identifiers

Preferred name: 4-Methoxy-1-naphthaldehyde
IUPAC: 4-methoxynaphthalene-1-carbaldehyde
English name: 4-Methoxy-1-naphthaldehyde
Molecular formula: C12H10O2
Molecular weight: 186.21

Names & synonyms

4-Methoxy-1-naphthaldehyde15971-29-64-Methoxy-1-naphthalaldehyde4-Methoxy-1-naphthalenecarboxaldehydeE2L48UL293NSC-97025DTXSID60166717RefChem:524484DTXCID2089208240-109-24-methoxynaphthalene-1-carbaldehyde1-Naphthalenecarboxaldehyde, 4-methoxy-

Show more names

AKOS B022255TIMTEC-BB SBB0002564-Methoxy-1-Naphtol4-Methoxy-1-naphthylaldehyde4-Methoxy-1-naphthaldehyde>4-Methoxy-1-naphthaldehyde,99%4-monomethoxy-1-naphthaldehyde

MFCD00004006SCHEMBL5456611-Naphthaldehyde, 4-methoxy-4-Methoxy-1-naphthaldehyde, 99%AKOS000113157CS-W016898SY0406064-methoxynaphthalenecarbaldehyde

Database identifiers

CAS: 15971-29-6
PubChem CID: 85217
DTXSID: DTXSID60166717
ChEMBL: CHEMBL4447838
UNII: E2L48UL293
EC Number: 240-109-2
Nikkaji: J219.922J

Properties

Computed structural properties

XLogP: 3.1
Topological polar surface area: 26.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 14
Formal charge: 0
Complexity: 202

Experimental & physicochemical properties

SpringerMaterials Properties13C nuclear magnetic resonance spectrum

Endocrine DisruptorsPotential endocrine disrupting compound

Physicochemical properties

Melting point: 35 · 35-36 °C(lit.)
Boiling point: 212 °C40 · 212 °C40 mm Hg(lit.)
Density: 1.1879 · 1.1879
refractive index: 1.664 · 1.6640
Flash point: 230 °F · >230 °F
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
form: Low Melting Solid
color: Slightly beige to pink-brown
Sensitive: Air Sensitive
BRN: 2046436 · 2046436
InChI: 1S/C12H10O2/c1-14-12-7-6-9(8-13)10-4-2-3-5-11(10)12/h2-8H,1H3
InChIKey: MVXMNHYVCLMLDD-UHFFFAOYSA-N
SMILES: COc1ccc(C=O)c2ccccc12
CAS DataBase Reference: 15971 · 15971-29-6(CAS DataBase Reference)
FDA UNII: 2 L48UL293 · E2L48UL293
NIST Chemistry Reference: 1 · 1-Naphthalenecarboxaldehyde, 4-methoxy-(15971-29-6)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338
PPE: 95 · Eyeshields, Gloves, type N95 (US)
Risk Statements: 36 · 36/37/38
Safety Statements: 24 · 24/25
WGK Germany: 3 · 3
HS Code: 29124990 · 29124990
Storage Class: 11 · 11 - Combustible Solids

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

PPE: Eyeshields, Gloves, type N95 (US)
wgk: 3
hs_code: 29124990
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
safety_code: 24/25
Storage Class: 11 - Combustible Solids
Hazard statements: H315-H319-H335
Precautionary statements: P261-P305+P351+P338

Chemistry & industry

Applications

Uses4-Methoxy-1-naphthaldehyde was used in fluorometric enzymatic assay for determination of activity of class I and II alcohol dehydrogenase isoenzymes in human pancreas and in human liver homogenates.