2-Methyl-1-naphthol (HCID 24055)

Overview

structure in first source

Names & identifiers

Preferred name: 2-Methyl-1-naphthol
IUPAC: 2-methylnaphthalen-1-ol
English name: 2-Methyl-1-naphthol
Molecular formula: C11H10O
Molecular weight: 158.2

Names & synonyms

2-Methyl-1-naphthol7469-77-41-Naphthol, 2-methyl-COU5JQ433INSC-402211DTXSID50225665RefChem:474903DTXCID80148156231-265-22-methylnaphthalen-1-ol1-Naphthalenol, 2-methyl-1-hydroxy-2-methylnaphthalene

Show more names

NSC 4022112-Methyl-1-naphthalenol2-Methyl-1-naphthol 98%2-Methyl-1-hydroxynaphthalene

methylnaphtolMFCD000039642-Methyl-alpha-naphthol2-methyl-naphthol2-Methyl-a-naphtholEINECS 231-265-22-Methyl-.alpha.-naphthol2-Methyl-1-naphthol, 98%

Database identifiers

CAS: 7469-77-4
PubChem CID: 24055
DTXSID: DTXSID50225665
ChEMBL: CHEMBL122451
UNII: COU5JQ433I
EC Number: 231-265-2
Nikkaji: J130.656A

Properties

Computed structural properties

XLogP: 3.2
Topological polar surface area: 20.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 0
Heavy atoms: 12
Formal charge: 0
Complexity: 155

Experimental & physicochemical properties

CosmeticsHair dyeing

Physicochemical properties

Melting point: 64 · 64-66 °C (lit.)
Boiling point: 304.3 · 304.3±11.0 °C(Predicted)
Density: 1.144 · 1.144±0.06 g/cm3(Predicted)
storage temp.: -20 °C · -20°C
form: solid
pka: 9.94 · 9.94±0.50(Predicted)
Appearance: Off-white to light yellow Solid
Cosmetics Ingredients Functions: HAIR DYEING
InChI: InChI=1S/C11H10O/c1-8-6-7-9-4-2-3-5-10(9)11(8)12/h2-7,12H,1H3
InChIKey: SRJCJJKWVSSELL-UHFFFAOYSA-N
SMILES: C1(O)=C2C(C=CC=C2)=CC=C1C
LogP: 3.17 · 3.170 (est)
EWG's Food Scores: 1 · 1-3
FDA UNII: 5 JQ433I · COU5JQ433I
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 5 · GHS05,GHS07
Signal word: Danger
Hazard statements: 315 · H315-H318-H335
Precautionary statements: 261 · P261-P280-P305+P351+P338
target organs: Respiratory system
PPE: 95 · dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes: Xi
Risk Statements: 37 · 37/38-41
Safety Statements: 26 · 26-39
WGK Germany: 3 · 3
HS Code: 2906290090 · 2906290090
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 1 Skin · Eye Dam. 1Skin Irrit. 2STOT SE 3

Safety & regulation

GHS classification

GHS Classification · 5 items

This chemical does not meet GHS hazard criteria for 46.2% (36 of 78) of reports.

Danger

H315 (53.8%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 78 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (53.8%)

Safety data

PPE: dust mask type N95 (US), Eyeshields, Gloves
wgk: 3
hs_code: 2906290090
risk_code: 37/38-41
Signal word: Danger
Symbol(GHS): GHS05,GHS07
hazard_code: Xi
safety_code: 26-39
Storage Class: 11 - Combustible Solids
target organs: Respiratory system
Hazard statements: H315-H318-H335
Hazard Classifications: Eye Dam. 1Skin Irrit. 2STOT SE 3
Precautionary statements: P261-P280-P305+P351+P338

Chemistry & industry

Uses & manufacturing

Use ClassificationCosmetics -> Hair dyeing

Applications · 2 items

Uses2-Methyl-1-naphthol was used in selective synthesis of vitamin K3 via liquid-phase oxidation using NbSBA-15 catalyst.

General Description2-Methyl-1-naphthol undergoes oxidation with molecular oxygen to yield 2-methyl-1,4-naphthoquinone. Mechanism of selective oxidation of 2-methyl-1-naphthol with H2O2 catalyzed by titanium single-site catalysts, TiO2-SiO2 aerogel and mesostructured hydrothermally stable titanium-silicate has been investigated by EPR spectroscopic technique.