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1552-94-9

Basic Information
CAS No.: 1552-94-9
Name: 5-Phenyl-2,4-pentadienoic acid
Molecular Structure:
Molecular Structure of 1552-94-9 (5-Phenyl-2,4-pentadienoic acid)
Formula: C11H10O2
Molecular Weight: 174.2
Synonyms: 5-Phenyl-2,4-pentadienoicacid;BL 1255;Cinnamalacetic acid;Cinnamylideneacetic acid;NSC 109408;NSC1778;NSC 63972;Styrene acrylic acid;b-Styrylacrylic acid;
EINECS: 216-298-2
Density: 1.148 g/cm3
Melting Point: 165-166 °C
Boiling Point: 356.1 °C at 760 mmHg
Flash Point: 257.6 °C
Solubility: Insoluble in water.
Appearance:
Hazard Symbols: R36/37/38:Irritating to eyes, respiratory system and skin.;
Risk Codes: 36/37/38
Safety: 26-36
Transport Information:
PSA: 37.30000
LogP: 2.34060
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Specification

The 5-Phenyl-2,4-pentadienoic acid, with the CAS registry number 1552-94-9, is also known as 5-Phenylpenta-2,4-dienoic acid. It belongs to the product category of Aromatic Phenylacetic Acids and Derivatives. Its EINECS registry number is 216-298-2. This chemical's molecular formula is C11H10O2 and molecular weight is 174.1959. Its IUPAC name is called (2E,4E)-5-phenylpenta-2,4-dienoic acid. The product should be sealed and stored in cool, dry and well-ventilated place.

Physical properties of 5-Phenyl-2,4-pentadienoic acid: (1)ACD/LogP: 2.21; (2)ACD/LogD (pH 5.5): 1.22; (3)ACD/LogD (pH 7.4): -0.59; (4)ACD/BCF (pH 5.5): 2.86; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 38.68; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 3; (11)Index of Refraction: 1.616; (12)Molar Refractivity: 53.03 cm3; (13)Molar Volume: 151.6 cm3; (14)Surface Tension: 47.8 dyne/cm; (15)Density: 1.148 g/cm3; (16)Flash Point: 257.6 °C; (17)Enthalpy of Vaporization: 63.45 kJ/mol; (18)Boiling Point: 356.1 °C at 760 mmHg; (19)Vapour Pressure: 1.09E-05 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC=C(C=C1)C=CC=CC(=O)O
(2)Isomeric SMILES: C1=CC=C(C=C1)/C=C/C=C/C(=O)O
(3)InChI: InChI=1S/C11H10O2/c12-11(13)9-5-4-8-10-6-2-1-3-7-10/h1-9H,(H,12,13)/b8-4+,9-5+
(4)InChIKey: FEIQOMCWGDNMHM-KBXRYBNXSA-N