伞花烯

Description

cymene · CAS 25155-15-1 · C10H14. UNII 2T13HF3266. Boiling Point: 178 °C; Boiling Point: 177.00 to 179.00 °C. @ 760.00 mm Hg; Melting Point: -71.5 °C.

Identification

CAS Registry Number	25155-15-1
PubChem CID	10703
Molecular formula	C10H14
IUPAC name	1-methyl-2-propan-2-ylbenzene
UNII (FDA)	2T13HF3266

Computed Descriptors

Molecular Weight	134.22
XLogP3	3.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	1
Exact Mass	134.109550447
Monoisotopic Mass	134.109550447
Topological Polar Surface Area	0
Heavy Atom Count	10
Formal Charge	0

Physical & Chemical Properties

Boiling Point	178 °C
Boiling Point	177.00 to 179.00 °C. @ 760.00 mm Hg
Melting Point	-71.5 °C
Melting Point	-71.54 °C
Solubility	In water, 23.3 mg/L at 25 °C
Solubility	0.0233 mg/mL at 25 °C
Density	0.8766 g/cu cm at 20 °C
Vapor Pressure	1.5 [mmHg]
Vapor Pressure	1.5 mm Hg at 25 °C
LogP	log Kow = 4.26

Physical description & handling notes

• Liquid
• Colorless liquid; [Hawley] Clear nearly colorless liquid; [MSDSonline]
• MP: also reported as -75.24 °C and -81.53 °C for two unstable solid forms
• Miscible with ethanol, ether, acetone, benzene, petroleum ether, carbon tetrachloride
• Stable under recommended storage conditions.
• When heated to decomposition it emits acrid smoke and irritating vapors.

GHS Hazard Classification

Reported hazard statements	H226 (100%)

Documented Uses

• A volatile constituent of the essential oil of olibanum; Used as a solvent, metal polish additive, and intermediate for resin manufacturing; Meta, ortho, and para isomers are usually synthesized by alkylation of toluene; [HSDB]
• Metal Degreasing [Category: Clean]
• Solvents, synthetic-resin manufacture, metal polishes, organic synthesis /Cymenes/
• Usually prepared by alkylation of toluene; meta-, ortho- and para-isomers obtained ... Separation of the three isomers by gas chromatography.
• Benzene, 1-methyl-2-(1-methylethyl)-: ACTIVE
• Benzene, methyl(1-methylethyl)-: ACTIVE

Synonyms

O-CYMENE; 527-84-4; 2-Isopropyltoluene; o-Cymol; 1-Isopropyl-2-methylbenzene; o-Isopropyltoluene; CYMENE, ORTHO; 1-Methyl-2-isopropylbenzene; 1-methyl-2-propan-2-ylbenzene; 1-Methyl-2-(1-methylethyl)benzene; Benzene, 1-methyl-2-(1-methylethyl)-; 1-methyl-2-(propan-2-yl)benzene; NSC-73976; 2T13HF3266; DTXSID1052165; ortho-cymol

Frequently Asked Questions

What are the CAS number and molecular formula of cymene?

CAS 25155-15-1; molecular formula C10H14; molecular weight — g/mol.

What other names is cymene known by?

O-CYMENE, 527-84-4, 2-Isopropyltoluene, o-Cymol, 1-Isopropyl-2-methylbenzene, o-Isopropyltoluene.

Is cymene classified as hazardous?

Hazard statements reported: H226.

What are the key physical properties of cymene?

Boiling Point: 178 °C; Boiling Point: 177.00 to 179.00 °C. @ 760.00 mm Hg; Melting Point: -71.5 °C; Melting Point: -71.54 °C.

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.