2-Isopropylnaphthalene

Description

2-Isopropylnaphthalene · CAS 2027-17-0 · C13H14. UNII 4DTR9UN8SR. Boiling Point: 268.2 °C; Melting Point: 14.5 °C; Flash Point: 122 °C.

Identification

CAS Registry Number	2027-17-0
PubChem CID	16238
Molecular formula	C13H14
IUPAC name	2-propan-2-ylnaphthalene
UNII (FDA)	4DTR9UN8SR

Computed Descriptors

Molecular Weight	170.25
XLogP3	4.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	1
Exact Mass	170.109550447
Monoisotopic Mass	170.109550447
Topological Polar Surface Area	0
Heavy Atom Count	13
Formal Charge	0

Physical & Chemical Properties

Boiling Point	268.2 °C
Melting Point	14.5 °C
Flash Point	122 °C
Flash Point	122 °C (open cup)
Density	0.9753 @ 20 °C
Vapor Pressure	0.00518 [mmHg]
Vapor Pressure	5.18X10-3 mm Hg @ 25 °C
Autoignition Temperature	475 °C

Physical description & handling notes

• Colorless or yellowish-brown liquid; [HSDB] Yellow liquid; mp = 14 deg C; [MSDSonline]
• Clear, yellowish-brown liquid
• Colorless liquid
• Faint sweet odor
• Insoluble in water; very soluble in ethanol, ethyl ether; soluble in benzene.
• When heated to decomposition it emits acrid smoke and irritating vapors.

Regulatory Status

GHS notification summary	7% (3 / 43)

GHS Hazard Classification

GHS notification summary	7% (3 / 43)
Reported hazard statements	H317 (90.7%), H319 (90.7%), H400 (90.7%), H410 (90.7%)

Documented Uses

• Used in solvents and as an organic intermediate; [HSDB]
• 2-Isopropylnaphthalene is contained in solvents and used as a chemical intermediate.
• ... Produced by alkylation of naphthalene with propylene.
• Naphthalene, 2-(1-methylethyl)-: ACTIVE
• Pulmonary toxicity of 2-isopropylnaphthalene (2-IPN) and its photoproducts was studied in mice. Twenty-four hours after the intraperitoneal injection of 2-IPN or its photoproducts, 2-isopropenylnaphthalene (2-IPeN) (1000 mg/kg), 2-acetonaphthone (2-AN) (700 mg/kg), beta-naphthol (BN) (50 mg/kg), phthalide (PH) (500 mg/kg) and phthalic acid (PA) (100 mg/kg) produced pulmonary damage, but 2-IPN (3000 mg/kg) and 2-(2-naphthyl)-2-propanol (2-NP) (100 mg/kg) did not produce pulmonary damage. The maximum levels of 2-IPN
• Over 95% of orally admin 2-isopropylnaphthalene was absorbed within 24 hr from the GI tract in rats. Peak levels in the blood, liver, kidneys, brain, heart, spleen, and muscle were observed at 2 hr, whereas peak levels in the adipose tissue and skin were observed at 4-6 hr. Amount of unchanged 2-isopropylnaphthalene in urine was small. In rats fed the experimental diet containing 0.1% for 14 or 28 days, 2-isopropylnaphthalene in the adipose tissue decreased to 1/3 within 24 hr after halting continuous ingestion.

Synonyms

2-ISOPROPYLNAPHTHALENE; 2027-17-0; Naphthalene, 2-(1-methylethyl)-; Naphthalene, 2-isopropyl-; beta-Isopropylnaphthalene; 4DTR9UN8SR; NSC-166466; DTXSID7051844; RefChem:473927; DTXCID5030400; 217-976-0; 2-iso-Propylnaphthalene; 2-propan-2-ylnaphthalene; 2-(1-Methylethyl)naphthalene; 2-(propan-2-yl)naphthalene; MFCD00014322

Frequently Asked Questions

What are the CAS number and molecular formula of 2-Isopropylnaphthalene?

CAS 2027-17-0; molecular formula C13H14; molecular weight — g/mol.

What other names is 2-Isopropylnaphthalene known by?

2-ISOPROPYLNAPHTHALENE, 2027-17-0, Naphthalene, 2-(1-methylethyl)-, Naphthalene, 2-isopropyl-, beta-Isopropylnaphthalene, 4DTR9UN8SR.

Is 2-Isopropylnaphthalene classified as hazardous?

7% of GHS notifications report no hazard classification (3 of 43).

What are the key physical properties of 2-Isopropylnaphthalene?

Boiling Point: 268.2 °C; Melting Point: 14.5 °C; Flash Point: 122 °C; Flash Point: 122 °C (open cup).

Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.