Benzene,(1-methylethoxy)- supplier

Name
1-ISOPROPOXYBENZENE
EINECS 220-370-9
CAS No. 2741-16-4
Article Data87
CAS DataBase
Density 0.927 g/cm³
Solubility
Melting Point -33°C
Formula C₉H₁₂O
Boiling Point 178.9 °C at 760 mmHg
Molecular Weight 136.194
Flash Point 61.9 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Ether,isopropyl phenyl (6CI,7CI,8CI);2-Phenoxypropane;Isopropoxybenzene;Isopropyl phenyl ether;Phenyl isopropyl ether;
PSA 9.23000
LogP 2.47380

Benzene,(1-methylethoxy)- Specification

The Benzene,(1-methylethoxy)-, with the CAS registry number 2741-16-4, is also known as Isopropoxybenzene. Its EINECS number is 220-370-9. This chemical's molecular formula is C₉H₁₂O and molecular weight is 136.19. What's more, its systematic name is (propan-2-yloxy)benzene.

Physical properties of Benzene,(1-methylethoxy)- are: (1)ACD/LogP: 3.01; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.01; (4)ACD/BCF (pH 5.5): 114.66; (5)ACD/KOC (pH 5.5): 1036.92; (6)#H bond acceptors: 1; (7)#H bond donors: 0; (8)#Freely Rotating Bonds: 2; (9)Polar Surface Area: 9.23 Å²; (10)Index of Refraction: 1.486; (11)Molar Refractivity: 42.15 cm³; (12)Molar Volume: 146.8 cm³; (13)Surface Tension: 29 dyne/cm; (14)Density: 0.927 g/cm³; (15)Flash Point: 61.9 °C; (16)Enthalpy of Vaporization: 39.82 kJ/mol; (17)Boiling Point: 178.9 °C at 760 mmHg; (18)Vapour Pressure: 1.31 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O(c1ccccc1)C(C)C
(2)InChI: InChI=1S/C9H12O/c1-8(2)10-9-6-4-3-5-7-9/h3-8H,1-2H3
(3)InChIKey: ZYNMJJNWXVKJJV-UHFFFAOYSA-N

Product Name

1-ISOPROPOXYBENZENE

Benzene,(1-methylethoxy)- Specification

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