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| CAS No.: | 884-33-3 |
|---|---|
| Name: | DL-BENZYLSUCCINIC ACID |
| Article Data: | 65 |
| Molecular Structure: | |
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| Formula: | C11H12O4 |
| Molecular Weight: | 208.214 |
| Synonyms: | Butanedioicacid, (phenylmethyl)- (9CI);Benzylsuccinic acid;NSC 20708; |
| EINECS: | -0 |
| Density: | 1.29 g/cm3 |
| Melting Point: | 161-163 °C |
| Boiling Point: | 331.4 °C at 760 mmHg |
| Flash Point: | 168.4 °C |
| Risk Codes: | 36/37/38 |
| Safety: | 26-36 |
| PSA: | 74.60000 |
| LogP: | 1.40460 |
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Specification
The DL-Benzylsuccinic acid with its cas register number is 884-33-3. It also can be called as Butanedioic acid,2-(phenylmethyl)- and the IUPAC Name about this chemical is 2-benzylbutanedioic acid. It belongs to the following product categories, such as Pharmaceutical Intermediates, Pharmaceutical material and intermeidates and so on.
Physical properties about DL-Benzylsuccinic acid are: (1)ACD/LogP: 1.60; (2)ACD/LogD (pH 5.5): -0.46; (3)ACD/LogD (pH 7.4): -3.07; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1.53; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 4; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 5; (11)Polar Surface Area: 52.6Å2; (12)Index of Refraction: 1.567; (13)Molar Refractivity: 52.78 cm3; (14)Molar Volume: 161.3 cm3; (15)Polarizability: 20.92x10-24cm3; (16)Surface Tension: 57.3 dyne/cm; (17)Enthalpy of Vaporization: 60.6 kJ/mol; (18)Vapour Pressure: 6.23E-05 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC=C(C=C1)CC(CC(=O)O)C(=O)O
(2)InChI: InChI=1S/C11H12O4/c12-10(13)7-9(11(14)15)6-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,12,13)(H,14,15)
(3)InChIKey: GTOFKXZQQDSVFH-UHFFFAOYSA-N