Benzaldehyde,4-pentyl-, oxime supplier

Name
4-PENTYLBENZALDEHYDE OXIME
EINECS
CAS No. 175136-45-5
Article Data4
CAS DataBase
Density 0.964 g/cm³
Solubility
Melting Point
Formula C₁₂H₁₇NO
Boiling Point 285.564 °C at 760 mmHg
Molecular Weight 191.273
Flash Point 169.125 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4-Pentylbenzaldehyde oxime;
PSA 32.59000
LogP 3.22740

Benzaldehyde,4-pentyl-, oxime Specification

The Benzaldehyde,4-pentyl-, oxime, with the CAS registry number of 175136-45-5, is also known as 4-Pentylbenzaldehyde oxime. This chemical's molecular formula is C₁₂H₁₇NO and molecular weight is 191.27. What's more, its systematic name is (E)-N-Hydroxy-1-(4-pentylphenyl)methanimine.

Physical properties about the Benzaldehyde,4-pentyl-, oxime are: (1)ACD/LogP: 4.44; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4; (4)ACD/LogD (pH 7.4): 4; (5)ACD/BCF (pH 5.5): 1536 ; (6)ACD/BCF (pH 7.4): 1536; (7)ACD/KOC (pH 5.5): 6645; (8)ACD/KOC (pH 7.4): 6645; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 32.59 Å²; (13)Index of Refraction: 1.507; (14)Molar Refractivity: 59.02 cm³; (15)Molar Volume: 198.348 cm³; (16)Surface Tension: 34.519 dyne/cm; (17)Density: 0.964 g/cm³; (18)Flash Point: 169.125 °C; (19)Enthalpy of Vaporization: 55.409 kJ/mol; (20)Boiling Point: 285.564 °C at 760 mmHg; (21)Vapour Pressure: 0.001 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O\N=C\c1ccc(cc1)CCCCC
(2) InChI: InChI=1/C12H17NO/c1-2-3-4-5-11-6-8-12(9-7-11)10-13-14/h6-10,14H,2-5H2,1H3/b13-10+
(3) InChIKey: RWRBIFAHYUXCHC-JLHYYAGUBS

Product Name

4-PENTYLBENZALDEHYDE OXIME

Benzaldehyde,4-pentyl-, oxime Specification

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