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23510-72-7

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Basic Information
CAS No.: 23510-72-7
Name: cinnamyl formate
Article Data: 5
Molecular Structure:
Molecular Structure of 23510-72-7 (cinnamyl formate)
Formula: C10H10O2
Molecular Weight: 162.188
Synonyms: (2E)-3-Phenyl-2-propen-1-yl formate;Cinnamyl alcohol, formate, (E)- (8CI);
Density: 1.077 g/cm3
Boiling Point: 252 °C at 760 mmHg
Flash Point: 127.668 °C
PSA: 26.30000
LogP: 2.50870
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Specification

The 2-Propen-1-ol,3-phenyl-, formate, (E)-, with the CAS registry number 23510-72-7, is also known as Cinnamylalcohol, formate, (E)- (8CI). This chemical's molecular formula is C10H10O2 and molecular weight is 162.19. What's more, its systematic name is (2E)-3-Phenyl-2-propen-1-yl formate.

Physical properties of 2-Propen-1-ol,3-phenyl-, formate, (E)- are: (1)ACD/LogP: 2.148; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.15; (4)ACD/LogD (pH 7.4): 2.15; (5)ACD/BCF (pH 5.5): 25.25; (6)ACD/BCF (pH 7.4): 25.25; (7)ACD/KOC (pH 5.5): 351.02; (8)ACD/KOC (pH 7.4): 351.02; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.56; (14)Molar Refractivity: 48.707 cm3; (15)Molar Volume: 150.597 cm3; (16)Polarizability: 19.309×10-24cm3; (17)Surface Tension: 39.9300003051758 dyne/cm; (18)Density: 1.077 g/cm3; (19)Flash Point: 127.668 °C; (20)Enthalpy of Vaporization: 48.933 kJ/mol; (21)Boiling Point: 252 °C at 760 mmHg; (22)Vapour Pressure: 0.0199999995529652 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=COC/C=C/c1ccccc1
(2)Std. InChI: InChI=1S/C10H10O2/c11-9-12-8-4-7-10-5-2-1-3-6-10/h1-7,9H,8H2/b7-4+
(3)Std. InChIKey: LBHJXKYRYCUGPD-QPJJXVBHSA-N