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| CAS No.: | 6402-36-4 |
|---|---|
| Name: | TRAUMATIC ACID |
| Molecular Structure: | |
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| Formula: | C12H20O4 |
| Molecular Weight: | 228.288 |
| Synonyms: | 2-Dodecenedioicacid, (E)- (8CI);2-Dodecenedioic acid, trans- (7CI);Traumatic acid (6CI);(E)-2-Dodecenedioic acid;trans-2-Dodecenedioic acid;trans-Traumatic acid; |
| EINECS: | 229-019-4 |
| Density: | 1.089 g/cm3 |
| Melting Point: | 165-167 °C(lit.) |
| Boiling Point: | 376.4 °C at 760 mmHg |
| Flash Point: | 195.6 °C |
| Appearance: | white to beige crystalline powder |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 36/37/38 |
| Safety: | 26-36 |
| PSA: | 74.60000 |
| LogP: | 2.83260 |
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Specification
The 2-Dodecenedioic acid,(2E)-, with the CAS registry number 6402-36-4, is also known as 1-Decene-1,10-dicarboxylic acid. It belongs to the product category of Miscellaneous Natural Products. Its EINECS registry number is 229-019-4. This chemical's molecular formula is C12H20O4 and molecular weight is 228.136159. Its IUPAC name is called (E)-dodec-2-enedioic acid. This chemical is white to beige crystalline powder.
Physical properties of 2-Dodecenedioic acid,(2E)-: (1)ACD/LogP: 2.95; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.36; (4)ACD/LogD (pH 7.4): -1.66; (5)ACD/BCF (pH 5.5): 2.65; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 24.75; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 10; (12)Index of Refraction: 1.492; (13)Molar Refractivity: 60.83 cm3; (14)Molar Volume: 209.4 cm3; (15)Surface Tension: 44.2 dyne/cm; (16)Density: 1.089 g/cm3; (17)Flash Point: 195.6 °C; (18)Enthalpy of Vaporization: 68.53 kJ/mol; (19)Boiling Point: 376.4 °C at 760 mmHg; (20)Vapour Pressure: 1.05E-06 mmHg at 25°C.
Uses of 2-Dodecenedioic acid,(2E)-: it can be used to produce 8-(5-oxo-tetrahydro-furan-2-yl)-octanoic acid at temperature of 130 °C. This reaction will need reagent 60percent H2SO4 with reaction time of 2.5 hours. The yield is about 55%.
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When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. 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: C(CCCCC(=O)O)CCCC=CC(=O)O
(2)Isomeric SMILES: C(CCCCC(=O)O)CCC/C=C/C(=O)O
(3)InChI: InChI=1S/C12H20O4/c13-11(14)9-7-5-3-1-2-4-6-8-10-12(15)16/h7,9H,1-6,8,10H2,(H,13,14)(H,15,16)/b9-7+
(4)InChIKey: MAZWDMBCPDUFDJ-VQHVLOKHSA-N