Naphthalen-1-ethanol

HCID 13047

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Basic information

CAS: 773-99-9
Standard SMILES: OCCc1cccc2ccccc12
InChIKey: RXWNCMHRJCOWDK-UHFFFAOYSA-N
Molecular formula: C12H12O
Average molar mass: 172.22 g/mol
Monoisotopic mass: 172.088815

Names & identifiers

Preferred name: Naphthalen-1-ethanol
IUPAC: 2-naphthalen-1-ylethanol
English name: 1-Naphthaleneethanol
Molecular formula: C12H12O
Molecular weight: 172.22

Names & synonyms

1-Naphthaleneethanol773-99-9Naphthalen-1-ethanolEINECS 212-260-4NSC 28342DTXSID00228020RefChem:831801DTXCID20150511212-260-42-(1-Naphthyl)ethanol2-(naphthalen-1-yl)ethanol1-(2-HYDROXYETHYL)NAPHTHALENE

Show more names

Naphthyelthanol1-phthaleneethanol1-NAPHTHYL ETHANOLNaphthylethanol,95%2-(1-Naphtyl)ethanolNaphthalene-1-thanolSinacase Impurity 47

2-naphthalen-1-ylethanol2-(naphthalen-1-yl)ethan-1-ol1-naphthalene ethanolMFCD000040502-(1-Naphthalene)ethanol2-naphthalen-1-yl-ethanol2-(.alpha.-Naphthyl)ethanolNSC-28342

Database identifiers

CAS: 773-99-9
PubChem CID: 13047
DTXSID: DTXSID00228020
UNII: 6Y5BQ6RB8Q
EC Number: 212-260-4
Nikkaji: J101E

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: 62 · 62-65 °C (lit.)
Boiling point: 186 °C/17 · 186 °C/17 mmHg (lit.)
Density: 0.99 · 0.9900 (rough estimate)
refractive index: 1.534 · 1.5340 (estimate)
Flash point: 186 °C/17mm · 186°C/17mm
storage temp.: Sealed in dry,Room Temperature
solubility: Chloroform (Slightly), Methanol (Slightly)
form: Solid or Crystalline Powder
pka: 14.63 · 14.63±0.10(Predicted)
color: White to off-white
InChI: InChI=1S/C12H12O/c13-9-8-11-6-3-5-10-4-1-2-7-12(10)11/h1-7,13H,8-9H2
InChIKey: RXWNCMHRJCOWDK-UHFFFAOYSA-N
SMILES: C1(CCO)=C2C(C=CC=C2)=CC=C1
CAS DataBase Reference: 773 · 773-99-9(CAS DataBase Reference)
NIST Chemistry Reference: 1 · 1-Naphthaleneethanol(773-99-9)
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-P280a-P304+P340-P305+P351+P338-P405-P501a
PPE: 95 · Eyeshields, Gloves, type N95 (US)
Safety Statements: 24 · 24/25
WGK Germany: 3 · 3
HS Code: 29062990 · 29062990
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)

Aggregated GHS information provided per 6 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.