Benzene,[(1-methylethyl)thio]- supplier

Name
ISOPROPYLTHIOBENZENE
EINECS 221-162-0
CAS No. 3019-20-3
Article Data92
CAS DataBase
Density 0.98 g/cm³
Solubility
Melting Point -45°C (estimate)
Formula C₉H₁₂S
Boiling Point 208 °C at 760 mmHg
Molecular Weight 152.26
Flash Point 83.2 °C
Transport Information
Appearance
Safety 26-36/37/39
Risk Codes 20/21/22
Molecular Structure
Hazard Symbols
Synonyms Sulfide,isopropyl phenyl (6CI,7CI,8CI);(Isopropylthio)benzene;Isopropyl phenylsulfide;Isopropyl phenyl thioether;Isopropylsulfanylbenzene;Phenyl isopropylsulfide;
PSA 25.30000
LogP 3.18710

Benzene,[(1-methylethyl)thio]- Specification

The Benzene,[(1-methylethyl)thio]-, with the CAS registry number 3019-20-3, is also known as Isopropyl phenyl thioether. Its EINECS registry number is 221-162-0. This chemical's molecular formula is C₉H₁₂S and molecular weight is 152.26. What's more, its systematic name and its IUPAC name are the same which is called Propan-2-ylsulfanylbenzene. Additionally, it should be put in a cool, dry place.

Physical properties about Benzene,[(1-methylethyl)thio]-: (1)ACD/LogP: 3.58; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.58; (4)ACD/LogD (pH 7.4): 3.58; (5)ACD/BCF (pH 5.5): 311.27; (6)ACD/BCF (pH 7.4): 311.27; (7)ACD/KOC (pH 5.5): 2119.28; (8)ACD/KOC (pH 7.4): 2119.28; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 25.3 Å²; (13)Index of Refraction: 1.544; (14)Molar Refractivity: 48.62 cm³; (15)Molar Volume: 153.9 cm³; (16)Surface Tension: 34.8 dyne/cm; (17)Density: 0.98 g/cm³; (18)Flash Point: 83.2 °C; (19)Enthalpy of Vaporization: 42.61 kJ/mol; (20)Boiling Point: 208 °C at 760 mmHg; (21)Vapour Pressure: 0.315 mmHg at 25 °C.

When you are dealing with this chemical, you should be very careful. This chemical may cause damage to health by inhalation, in contacting with skin and if swallowed. Therefore, you should wear suitable protective clothing, gloves and eye/face protection. And in case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: S(c1ccccc1)C(C)C
(2)InChI: InChI=1/C9H12S/c1-8(2)10-9-6-4-3-5-7-9/h3-8H,1-2H3
(3)InChIKey: SNOAHAUUBQMVGW-UHFFFAOYAT

Product Name

ISOPROPYLTHIOBENZENE

Benzene,[(1-methylethyl)thio]- Specification

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