Molecule structure of 3-Isopropylphenol (CAS NO.618-45-1) :

IUPAC Name: 3-propan-2-ylphenol
Molecular Weight: 136.19098 g/mol
Molecular Formula: C₉H₁₂O
Density: 0.987 g/cm³ 
Melting Point: 25 °C(lit.)
Boiling Point: 228 °C at 760 mmHg
Flash Point: 102.8 °C 
Color: white to brown
Index of Refraction: 1.525
Molar Refractivity: 42.31 cm³
Molar Volume: 137.9 cm³
Polarizability: 16.77*10^-24 cm³
Surface Tension: 35.7 dyne/cm
Enthalpy of Vaporization: 48.35 kJ/mol
Vapour Pressure: 0.0499 mmHg at 25 °C 
pKa Dissociation Constant: 10.16 
log P (octanol-water): 2.970 
Water Solubility: 962 mg/L 
Henry's Law Constant: 1.09E-06 atm-m³/mole 
Atmospheric OH Rate Constant: 8.15E-11 cm³/molecule-sec 
XLogP3: 2.7
H-Bond Donor: 1
H-Bond Acceptor: 1
Rotatable Bond Count: 1
Tautomer Count: 9
Exact Mass: 136.088815
MonoIsotopic Mass: 136.088815
Topological Polar Surface Area: 20.2
Heavy Atom Count: 10
Complexity: 98.9
Canonical SMILES: CC(C)C1=CC(=CC=C1)O
InChI: InChI=1S/C9H12O/c1-7(2)8-4-3-5-9(10)6-8/h3-7,10H,1-2H3
InChIKey: VLJSLTNSFSOYQR-UHFFFAOYSA-N
EINECS: 210-551-0
Product Categories: Organic Building Blocks; Oxygen Compounds; Phenols

 3-Isopropylphenol (CAS NO.618-45-1) is used as intermediate of killing vegetation carbamate agents isoprocarb.

Oxidation and decomposition of the raw materials 1,3-bis(1-methylethyl)-benzen to get the product. 1,3-bis(1-methylethyl)-benzen can be derived from the by-product of cumene synthesis of aviation oil. It can also be derived from the by product of cumene synthesis of phenol, acetone. The first step in the initiator 1,3-bis(1-methylethyl)-benzen under the action of cumene with air in the liquid phase oxidation, the reaction temperature of 120 °C, reaction time 1.0-1.4h. Concentration of oxidation of liquid will then be obtained between the two single-cumene hydroperoxide, a sulfuric acid catalyzed decomposition into inter-isopropyl-phenol and acetone; and finally derived by the separation of product, and cogeneration acetone.

Reported in EPA TSCA Inventory.

Moderately toxic by ingestion. When heated to decomposition it emits acrid smoke and irritating vapors.
Hazard Codes: C, Xn
Risk Statements: 22-34 
R22:Harmful if swallowed. 
R34:Causes burns.
Safety Statements: 26-28-36/37/39-45-27 
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S28:After contact with skin, wash immediately with plenty of soap-suds. 
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection. 
S45:In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.) 
S27:Take off immediately all contaminated clothing.
RIDADR: UN 2430 8/PG 2
WGK Germany: 3
RTECS: SL5800000
HazardClass: 8
PackingGroup: III

 3-Isopropylphenol (CAS NO.618-45-1) is also called 3-Isopropylphenol ; 4-06-00-03214 (Beilstein Handbook Reference) ; AI3-18885 ; BRN 2040880 ; ISOPROPYLPHENOL, META ; NSC 2209 ; Phenol, 3-(1-methylethyl)- ; m-Cumenol ; 3-Isopropylhydroxybenzene ; Phenol, 3-(1-methylethyl)- ; Phenol, m-isopropyl- .
A liquid at room temperature Soluble in ether, slightly soluble in water. 3-Isopropylphenol (CAS NO.618-45-1) is morate toxic. It is flammable. It will decomposit stimulate gasproduce by heat. So the storage environment should be ventilate, low-temperature and dry. Keep 3-Isopropylphenol (CAS NO.618-45-1) separate from oxidants.