1-Methoxy-2-naphthalenemethanol

HCID 4559151

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Basic information

CAS: 76635-76-2
Standard SMILES: COc1c(CO)ccc2ccccc12
InChIKey: UZGZPQGJNHDHKO-UHFFFAOYSA-N
Molecular formula: C12H12O2
Average molar mass: 188.22 g/mol
Monoisotopic mass: 188.08372962

Names & identifiers

Preferred name: 1-Methoxy-2-naphthalenemethanol
IUPAC: (1-methoxynaphthalen-2-yl)methanol
English name: 1-Methoxy-2-naphthalenemethanol 98
Molecular formula: C12H12O2
Molecular weight: 188.22

Names & synonyms

1-Methoxy-2-naphthalenemethanol76635-76-2DTXSID90404250RefChem:433487DTXCID60355104620-759-7(1-methoxynaphthalen-2-yl)methanol1-Methoxynaphthalene-2-methanolMFCD03093904SCHEMBL5963023(1-methoxy-2-naphthyl)methanolDAlc2-H_000038

Show more names

1-methoxy-2-naphthalenemethylol2-Naphthalenemethanol, 1-methoxy-1-Methoxy-2-naphthalenemethanol 981-Methoxy-2-naphthalenemethanol 98%1-METHOXY-2-NAPHTHALENEMETHANOL[095H]

2-Hydroxymethyl-1-methoxy-naphthaleneAKOS0159130171-Methoxy-2-naphthalenemethanol, 98%WS-02488D86513F784020

Database identifiers

CAS: 76635-76-2
PubChem CID: 4559151
DTXSID: DTXSID90404250
EC Number: 620-759-7
Nikkaji: J438.628K

Properties

Computed structural properties

XLogP: 2.3
Topological polar surface area: 29.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 14
Formal charge: 0
Complexity: 181

Physicochemical properties

Melting point: 67 · 67-70 °C (lit.)
Boiling point: 119 · 119-120 °C(Press: 40 Torr)
Density: 0.986 g/cm3 · 0.986 g/cm3(Temp: 24 °C)
pka: 13.85 · 13.85±0.10(Predicted)
InChI: 1S/C12H12O2/c1-14-12-10(8-13)7-6-9-4-2-3-5-11(9)12/h2-7,13H,8H2,1H3
InChIKey: UZGZPQGJNHDHKO-UHFFFAOYSA-N
SMILES: COc1c(CO)ccc2ccccc12
UNSPSC Code: 12352100 · 12352100
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338
target organs: Respiratory system
PPE: 95 · dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36
WGK Germany: 3 · 3
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3

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)

Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.