2-Naphthaleneethanol

HCID 73877

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 1485-07-0
Standard SMILES: OCCc1ccc2ccccc2c1
InChIKey: VCZANYLMPFRUHG-UHFFFAOYSA-N
Molecular formula: C12H12O
Average molar mass: 172.22 g/mol
Monoisotopic mass: 172.088815

Names & identifiers

Preferred name: 2-Naphthaleneethanol
IUPAC: 2-naphthalen-2-ylethanol
English name: Naphthalen-2-ethanol
Molecular formula: C12H12O
Molecular weight: 172.22

Names & synonyms

2-Naphthaleneethanol1485-07-0Naphthalen-2-ethanolNSC-2104035GBR3X2UMDTXSID10163998RefChem:88479DTXCID9086489216-061-31-(2-Naphthyl)ethanol2-(Naphthalen-2-yl)ethanol2-(2-Naphthyl)ethanol

Show more names

phthalen-2-ethanolNAPHTHALENEETHANOL -2-naphtalene ethanolNAPHTHALENEETHANOL - 98%

2-(naphthalen-2-yl)ethan-1-ol2-naphthalen-2-ylethanol2-Naphthalene EthanolMFCD000041282-(2-hydroxyethyl)naphthaleneNaphthalene-2-ethanol2-(2-Naphthalenyl)ethanol2-Naphthylethanol

Database identifiers

CAS: 1485-07-0
PubChem CID: 73877
DTXSID: DTXSID10163998
UNII: 35GBR3X2UM
EC Number: 216-061-3
Nikkaji: J134A

Properties

Computed structural properties

XLogP: 3.2
Topological polar surface area: 20.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 2
Heavy atoms: 13
Formal charge: 0
Complexity: 155

Physicochemical properties

Melting point: 66 · 66-68 °C(lit.)
Boiling point: 180 · 180-184 °C/15 mmHg (lit.)
Density: 0.99 · 0.9900 (rough estimate)
refractive index: 1.534 · 1.5340 (estimate)
storage temp.: Sealed in dry,Room Temperature
form: powder
pka: 14.84 · 14.84±0.10(Predicted)
Appearance: White to off-white Solid
InChI: 1S/C12H12O/c13-8-7-10-5-6-11-3-1-2-4-12(11)9-10/h1-6,9,13H,7-8H2
InChIKey: VCZANYLMPFRUHG-UHFFFAOYSA-N
SMILES: OCCc1ccc2ccccc2c1
CAS DataBase Reference: 1485 · 1485-07-0(CAS DataBase Reference)
FDA UNII: 35 GBR3X2UM · 35GBR3X2UM
NIST Chemistry Reference: 2 · 2-Naphthaleneethanol(1485-07-0)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P302+P352-P304+P340-P305+P351+P338
PPE: 95 · Eyeshields, Gloves, type N95 (US)
WGK Germany: 3 · 3
Storage Class: 11 · 11 - Combustible Solids

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

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

Hazard information

Regulatory Information2-Naphthaleneethanol: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Hazard Classes and CategoriesAcute Tox. 4 (50%)

Safety data

PPE: Eyeshields, Gloves, type N95 (US)
wgk: 3
Signal word: Warning
Symbol(GHS): GHS07
Storage Class: 11 - Combustible Solids
Hazard statements: H302-H315-H319-H335
Precautionary statements: P261-P302+P352-P304+P340-P305+P351+P338

Chemistry & industry

Applications · 2 items

Uses2-Naphthaleneethanol undergoes esterification reaction with poly(ethylene glycol) monomethyl ether carboxylic acid. Emission spectra of 2-naphthaleneethanol reacted with UV-irradiated octadecylsiloxane self-assembled monolayers has been investigated.

General Description2-Naphthaleneethanol undergoes esterification reaction with poly(ethylene glycol) monomethyl ether carboxylic acid. Emission spectra of 2-naphthaleneethanol reacted with UV-irradiated octadecylsiloxane self-assembled monolayers has been investigated.