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527-84-4

527-84-4 Structure

527-84-4 Structure
IdentificationMore
[Name]

O-CYMENE
[CAS]

527-84-4
[Synonyms]

1-ISOPROPYL-2-METHYLBENZENE
1-METHYL-2-ISO-PROPYLBENZENE
2-ISOPROPYLTOLUENE
2-METHYLISOPROPYLBENZENE
O-CYMENE
1-(1-methylethyl)-2-methylbenzene
1-methyl,2-n-isopropylbenzene
1-methyl-2-(1-methylethyl)-benzen
1-methyl-2-(1-methylethyl)benzene
1-Methyl-2-(1-methylethyl)-benzene
1-methyl-2-isopropylbenzol
Benzene, 1-methyl-2-(1-methylethyl)-
Cymene, ortho
o-Cymol
o-Isopropyltoluene
ortho-Cymene
2-isopropylmethylbenzene
Benzene,1-methyl-2-(1-meth
1-Isopropyl-2-methylbenzene, 2-Isopropyltoluene
[EINECS(EC#)]

208-426-0
[Molecular Formula]

C10H14
[MDL Number]

MFCD00008888
[Molecular Weight]

134.22
[MOL File]

527-84-4.mol
Chemical PropertiesBack Directory
[Melting point ]

−72-−71 °C(lit.)
[Boiling point ]

178 °C(lit.)
[density ]

0.877 g/mL at 25 °C(lit.)
[vapor pressure ]

3.6 mm Hg ( 37.7 °C)
[refractive index ]

n20/D 1.499(lit.)
[Fp ]

50°C
[storage temp. ]

Refrigerator, under inert atmosphere
[solubility ]

organic solvents: miscible(lit.)
[form ]

Oil
[color ]

Colourless
[Water Solubility ]

organic solvents: miscible(lit.)
water: insoluble(lit.)
[Merck ]

2763
[BRN ]

1850838
[Stability:]

Volatile
[LogP]

4.380
[CAS DataBase Reference]

527-84-4(CAS DataBase Reference)
[EPA Substance Registry System]

o-Cymene (527-84-4)
Safety DataBack Directory
[Symbol(GHS) ]

Flame (GHS02)
GHS02
[Signal word ]

Warning
[Hazard statements ]

H226
[Precautionary statements ]

P210-P233-P240-P241-P242-P243
[Risk Statements ]

R10:Flammable.
[Safety Statements ]

S23:Do not breathe gas/fumes/vapor/spray (appropriate wording to be specified by the manufacturer) .
S24/25:Avoid contact with skin and eyes .
[RIDADR ]

UN 2046 3/PG 3
[WGK Germany ]

2
[RTECS ]

DA6127300
[TSCA ]

TSCA listed
[HS Code ]

2902.90.2000
[HazardClass ]

3.2
[PackingGroup ]

III
[Hazardous Substances Data]

527-84-4(Hazardous Substances Data)
Raw materials And Preparation ProductsBack Directory
[Raw materials]

1,3-Cyclohexadiene, 2-methyl-1-(1-methylethyl)--->o-mentha-1,4-diene-->1,3-Cyclohexadiene, 1-methyl-2-(1-methylethyl)--->Cyclohexene, 4-methyl-3-(1-methylethylidene)--->2-N-PROPYLTOLUENE-->1-METHYL-4-PROPYLBENZENE-->1-METHYL-3-PROPYLBENZENE-->M-CYMENE
[Preparation Products]

Cresol
Hazard InformationBack Directory
[Chemical Properties]

The o-isopropylbenzene molecule contains an aromatic ring and an alkyl substituent, and there are no strongly polar groups in the molecule, so the molecule as a whole does not have too strong a polarity. The stability of the substance is high, its substituent group structure is relatively simple, there is no particularly obvious tension, the bond energy in its molecule is relatively high, and the molecular structure is stable.
[Uses]

o-Cymene is an aromatic organic compound that can be synthesized from o-Toluic Acid (T536120).
[Definition]

ChEBI:1-Isopropyl-2-methylbenzene is an alkylbenzene.
[General Description]

Intact and direct dealkylating nitration of o-cymene with nitronium tetronium tetrafluoroborate has been reported. The kinetics of isomerization of cymene has been studied.
[Synthesis]

Palladium catalyst (0.005 mol, 0.01 eq.), 5.86 mg of PtBu3 (0.02 mmol, 0.04 eq.), 208 mg of potassium carbonate (1.5 mmol, 3.0 eq.), and isopropylboronic acid (65.9 mg, 0.75 mmol) were sequentially added to a dry reaction vial under air atmosphere. After
Spectrum DetailBack Directory
[Spectrum Detail]

O-CYMENE(527-84-4)MS
O-CYMENE(527-84-4)1HNMR
O-CYMENE(527-84-4)IR1
O-CYMENE(527-84-4)Raman
Well-known Reagent Company Product InformationBack Directory
[Sigma Aldrich]

527-84-4(sigmaaldrich)
[TCI AMERICA]

o-Cymene,>99.0%(GC)(527-84-4)
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