CAS No.99-87-6,p-Cymene Suppliers

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Basic Information

Molecular Structure:
CAS No.:	99-87-6
Name:	p-Cymene
Article Data:	646

Formula:	C₁₀H₁₄
Molecular Weight:	134.221
Synonyms:	p-Cymene(8CI);1-Isopropyl-4-methylbenzene;1-Methyl-4-(1-methylethyl)benzene;1-Methyl-4-isopropylbenzene;2-p-Tolylpropane;4-Cymene;4-Isopropyl-1-methylbenzene;4-Methylisopropylbenzene;Camphogen;Dolcymene;NSC 4162;p-Cymol;p-Isopropyltoluene;p-Methylcumene;p-Methylisopropylbenzene;
EINECS:	202-796-7
Density:	0.861 g/cm³
Melting Point:	-68 °C
Boiling Point:	173.9 °C at 760 mmHg
Flash Point:	47.2 °C
Solubility:	practically insoluble in water
Appearance:	colourless liquid with a characteristic odour
Hazard Symbols:	Xi
Risk Codes:	10-36/37/38
Safety:	26-36
Transport Information:	UN 2046 3/PG 3
PSA:	0.00000
LogP:	3.11840

Raw Materials

99-86-5

71-43-2

80-56-8

74-88-4

79-92-5

106-43-4

106-94-5

127-91-3

Downstream Products

135-19-3

64-18-6

586-89-0

87-83-2

Total:58 Page 1 of 2 1 2 Next>>

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Chemistry

The Molecular Structure of 4-Isopropyltoluene (CAS NO.99-87-6):

Empirical Formula: C₁₀H₁₄
Molecular Weight: 134.2182
IUPAC Name: 1-methyl-4-propan-2-ylbenzene
Appearance: colourless liquid with a characteristic odour
Nominal Mass: 134 Da
Average Mass: 134.2182 Da
Monoisotopic Mass: 134.10955 Da
Index of Refraction: 1.492
Molar Refractivity: 45.26 cm³
Molar Volume: 155.7 cm³
Surface Tension: 28.5 dyne/cm
Density: 0.861 g/cm³
Flash Point: 47.2 °C
Enthalpy of Vaporization: 39.34 kJ/mol
Boiling Point: 173.9 °C at 760 mmHg
Vapour Pressure: 1.65 mmHg at 25°C
Storage temp: Flammables area
Water Solubility: PRACTICALLY INSOLUBLE
Stability: Stable.Flammable.Incompatible with strong oxidizing agents, strong acids, strong bases
InChI
InChI=1/C10H14/c1-8(2)10-6-4-9(3)5-7-10/h4-8H,1-3H3
Smiles
c1(C(C)C)ccc(C)cc1
Synonyms: 4-Cymene ; 4-Methylisopropylbenzene ; 4-Isopropyltoluene ; 1-Methyl-4-isopropylbenzene ; 1-Isopropyl-4-methylbenzene ; Dolcymene ; cymene, 4- ; Cymene para
Product Categories: Analytical Chemistry;Standard Solution of Volatile Organic Compounds for Water & Soil Analysis;Standard Solutions (VOC)

Uses

4-Isopropyltoluene (CAS NO.99-87-6) is a constituent of a number of essential oils, most commonly the oil of cumin and thyme.

Toxicity Data With Reference

1.		skn-rbt 500 mg/24H MOD		FCTXAV Food and Cosmetics Toxicology. 12 (1974),401.
2.		orl-rat LD50:4750 mg/kg		FCTXAV Food and Cosmetics Toxicology. 2 (1964),327.

Mildly toxic by ingestion. Humans sustain central nervous system effects at low doses. A skin irritant. Flammable liquid. Explosion Hazard: Slight in the form of vapor. To fight fire, use foam, CO₂, dry chemical. When heated to decomposition it emits acrid smoke and fumes.

Consensus Reports

Reported in EPA TSCA Inventory.

Safety Profile

Hazard Codes: Irritant Xi
Risk Statements: 10-36/37/38
R10: Flammable
R36/37/38: Irritating to eyes, respiratory system and skin
Safety Statements: 26-36
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
S36: Wear suitable protective clothing
RIDADR: UN 2046 3/PG 3
WGK Germany: 2
RTECS: GZ5950000
HazardClass: 3
PackingGroup: III

Specification

There are two less common geometric isomers of cymene : o-Cymene , in which the alkyl groups are ortho-substituted, and m-cymene , in which they are meta-substituted . p-Cymene is the only natural isomer.