Products Categories
| CAS No.: | 1914-58-5 |
|---|---|
| Name: | trans-Styrylacetic acid |
| Molecular Structure: | |
|
|
|
| Formula: | C10H10O2 |
| Molecular Weight: | 162.188 |
| Synonyms: | 3-Butenoicacid, 4-phenyl-, (E)- (8CI);(3E)-4-Phenylbut-3-enoic acid;(E)-4-Phenyl-3-butenoic acid;NSC 172584;trans-Styrylacetic acid; |
| EINECS: | 218-814-1 |
| Density: | 1.145 g/cm3 |
| Melting Point: | 84-86 °C(lit.) |
| Boiling Point: | 302 °C at 760 mmHg |
| Flash Point: | 215.8 °C |
| Appearance: | white to yellow-brown cryst. powder or needles |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 26-37/39-24/25 |
| PSA: | 37.30000 |
| LogP: | 2.17450 |
- 483366-12-7(2S,4R)-1-Boc-2-cyano-4-hydroxypyrrolidine
- 361456-36-2METHYL (R)-(+)-ISOCYANATO-3-PHENYLPROPI&
- 5156-58-1N-(1-Benzyl-4-pipperidinyl)-N-phenylpropanamide HCl
- 81281-59-67-Benzylideneaminotheophylline
- 50288-62-5threo-Phenyl-2-piperidyl acetamide
- 82993-81-5D-threo-Ritalinic acid hydrochloride
- 47087-37-6Z-D-Glu-OMe
- 73441-42-6METHYL-5-CHLORO-2,2-DIMETHYLVALERATE
- 211914-50-0N-[[2-[[[4-(Aminoiminomethyl)phenyl]amino]methyl]-1-methyl-1H-benzimidazol-5-yl]carbonyl]-N-(2-pyridinyl)-beta-alanine ethyl ester hydrochloride
- 240444-70-62,3,5,6-Tetrafluor-4-(methoxymethyl)benzyl-2,2-dimethyl-3-(prop-1-en-1-yl)cyclopropancarboxylat
- Total:23 Page 1 of 1 1
What can I do for you?
Get Best Price
Specification
The Trans-Styrylacetic acid, with CAS registry number 1914-58-5, belongs to the following product category: Aromatic Phenylacetic Acids and Derivatives. It has the systematic name of (3E)-4-phenylbut-3-enoic acid. This chemical is a kind of white to yellow-brown cryst. powder or needles. And it should be stored in the refrigerator. And the chemical formula of this chemical is C10H10O2.
Physical properties of Trans-Styrylacetic acid: (1)ACD/LogP: 2.18; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.1; (4)ACD/BCF (pH 5.5): 2.24; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 30.65; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 26.3 Å2; (12)Index of Refraction: 1.598; (13)Molar Refractivity: 48.33 cm3; (14)Molar Volume: 141.5 cm3; (15)Polarizability: 19.16×10-24cm3; (16)Surface Tension: 47.6 dyne/cm; (17)Density: 1.145 g/cm3; (18)Flash Point: 215.8 °C; (19)Enthalpy of Vaporization: 57.25 kJ/mol; (20)Boiling Point: 302 °C at 760 mmHg; (21)Vapour Pressure: 0.00045 mmHg at 25°C.
Preparation: this chemical can be prepared by 1,1-dibromo-4-phenylbutadiene. This reaction will need reagents 10 N aq. NaOH, Pd(diphos)2, PEG-400 and solvent CH2Cl2. The reaction time is 17 hour(s) with reaction temperature of 60 - 65 ℃. The yield is about 58%.
.jpg)
Uses of Trans-Styrylacetic acid: it can be used to produce 4-phenyl-but-3-enoic acid. This reaction will need reagents meso-tetrakis(pentafluorophenyl)porphyrin iron chloride (Fe(III)(TPFPP)Cl), PhIO and solvent CH2Cl2. The reaction time is 20 hour(s). The yield is about 31.8%.
.jpg)
When you are using this chemical, please be cautious about it as the following:
The Trans-Styrylacetic acid irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)C/C=C/c1ccccc1
(2)InChI: InChI=1/C10H10O2/c11-10(12)8-4-7-9-5-2-1-3-6-9/h1-7H,8H2,(H,11,12)/b7-4+
(3)InChIKey: PSCXFXNEYIHJST-QPJJXVBHBJ
(4)Std. InChI: InChI=1S/C10H10O2/c11-10(12)8-4-7-9-5-2-1-3-6-9/h1-7H,8H2,(H,11,12)/b7-4+
(5)Std. InChIKey: PSCXFXNEYIHJST-QPJJXVBHSA-N