(2E,4E,6E)-7-phenylhepta-2,4,6-trienal supplier

Name
(2E,4E,6E)-7-phenylhepta-2,4,6-trienal
EINECS
CAS No. 6460-63-5
Article Data4
CAS DataBase
Density 1.017 g/cm³
Solubility
Melting Point
Formula C₁₃H₁₂O
Boiling Point 345.9 °C at 760 mmHg
Molecular Weight 184.238
Flash Point 131.9 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms NSC11903;
PSA
LogP

(2E,4E,6E)-7-phenylhepta-2,4,6-trienal Specification

The (2E,4E,6E)-7-phenylhepta-2,4,6-trienal, with the CAS registry number 6460-63-5, is also known as NSC11903. This chemical's molecular formula is C₁₃H₁₂O and molecular weight is 184.2338. Its IUPAC name is called (2E,4E,6E)-7-phenylhepta-2,4,6-trienal.

Physical properties of (2E,4E,6E)-7-phenylhepta-2,4,6-trienal: (1)ACD/LogP: 2.46; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.46; (4)ACD/LogD (pH 7.4): 2.46; (5)ACD/BCF (pH 5.5): 43.77; (6)ACD/BCF (pH 7.4): 43.77; (7)ACD/KOC (pH 5.5): 520.46; (8)ACD/KOC (pH 7.4): 520.46; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Index of Refraction: 1.588; (13)Molar Refractivity: 60.97 cm³; (14)Molar Volume: 180.9 cm³; (15)Surface Tension: 39.1 dyne/cm; (16)Density: 1.017 g/cm³; (17)Flash Point: 131.9 °C; (18)Enthalpy of Vaporization: 59 kJ/mol; (19)Boiling Point: 345.9 °C at 760 mmHg; (20)Vapour Pressure: 5.99E-05 mmHg at 25°C.

Preparation: this chemical can be prepared by 7-phenyl-7-hydroxy-1,1-diethoxyhepta-3E,5E-diene. This reaction will need reagent bromhydric acid and solvent acetone, H₂O. The yield is about 85%.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC=C(C=C1)C=CC=CC=CC=O
(2)Isomeric SMILES: C1=CC=C(C=C1)/C=C/C=C/C=C/C=O
(3)InChI: InChI=1S/C13H12O/c14-12-8-3-1-2-5-9-13-10-6-4-7-11-13/h1-12H/b2-1+,8-3+,9-5+
(4)InChIKey: PIPFDCCYIUAHAC-DUFJELMJSA-N

Product Name

(2E,4E,6E)-7-phenylhepta-2,4,6-trienal

(2E,4E,6E)-7-phenylhepta-2,4,6-trienal Specification

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