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2027-17-0

Basic Information
CAS No.: 2027-17-0
Name: 2-ISOPROPYLNAPHTHALENE
Article Data: 69
Molecular Structure:
Molecular Structure of 2027-17-0 (2-ISOPROPYLNAPHTHALENE)
Formula: C13H14
Molecular Weight: 170.254
Synonyms: Naphthalene,2-isopropyl- (6CI,7CI,8CI); 2-Isopropylnaphthalene; NSC 166466; b-Isopropylnaphthalene
Density: 0.98g/cm3
Melting Point: 14°C
Boiling Point: 261-263°C
Flash Point: 109.7°C
Safety: Mildly toxic by ingestion. When heated to decomposition it emits acrid smoke and irritating vapors.
PSA: 0.00000
LogP: 3.96320
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Chemistry

Empirical Formula of 2-Isopropylnaphthalene (CAS NO.2027-17-0): C13H14
Molecular Weight: 170.2503 g/mol
EINECS: 217-976-0
Index of Refraction: 1.586
Density: 0.98 g/cm3
Flash Point: 109.7 °C
Enthalpy of Vaporization: 48.59 kJ/mol
Boiling Point: 268.2 °C at 760 mmHg
Vapour Pressure: 0.0129 mmHg at 25 °C
Melting point: 14 °C
The structure of 2-Isopropylnaphthalene (CAS NO.2027-17-0):
                           
IUPAC Name: 2-Propan-2-ylnaphthalene
Canonical SMILES: CC(C)C1=CC2=CC=CC=C2C=C1
InChI: InChI=1S/C13H14/c1-10(2)12-8-7-11-5-3-4-6-13(11)9-12/h3-10H,1-2H3
InChIKey: TVYVQNHYIHAJTD-UHFFFAOYSA-N

Toxicity Data With Reference

1.    

orl-mus LD50:5300 mg/kg

    85JCAE    Prehled Prumyslove Toxikologie; Organicke Latky Marhold, J.,Prague, Czechoslovakia.: Avicenum,1986,50.

Consensus Reports

Reported in EPA TSCA Inventory.

Safety Profile

Mildly toxic by ingestion. When heated to decomposition it emits acrid smoke and irritating vapors.

Specification

 2-Isopropylnaphthalene (CAS NO.2027-17-0) also can be called Naphthalene, 2-(1-methylethyl)- ; .beta.-Isopropylnaphthalene ; 2-propan-2-ylnaphthalene ; and 2-iso-Propylnaphthalene .