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| CAS No.: | 7516-48-5 |
|---|---|
| Name: | (+/-)-Dihydrolipoic acid |
| Article Data: | 2 |
| Molecular Structure: | |
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| Formula: | C8H16O2S2 |
| Molecular Weight: | 208.346 |
| Synonyms: | Acide 6,8-disulfanyloctano?que; |
| EINECS: | 214-071-2 |
| Density: | 1.134 g/cm3 |
| Melting Point: | 60-62 °C |
| Boiling Point: | 360.834 °C at 760 mmHg |
| Flash Point: | 172.027 °C |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 36/37/38 |
| Safety: | 26-36 |
| PSA: | 114.90000 |
| LogP: | 1.85960 |
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Specification
The (+/-)-Dihydrolipoic acid with the cas number 7516-48-5 is also called Acide 6,8-disulfanyloctanoïque. The IUPAC name is 6,8-bis(sulfanyl)octanoic acid. Its molecular formula is C8H16O2S2. This chemical is a kind of organics. It should be stored in dry and cool environment.
The properties of the chemical are: (1)ACD/LogP: 2.07; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.24; (4)ACD/LogD (pH 7.4): ; (5)ACD/BCF (pH 5.5): 3.252; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 46.926; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 9; (12)Polar Surface Area: 114.9 Å2; (13)Index of Refraction: 1.527; (14)Molar Refractivity: 56.428 cm3; (15)Molar Volume: 183.688 cm3; (16)Polarizability: 22.37×10-24cm3; (17)Surface Tension: 44.087 dyne/cm; (18)Enthalpy of Vaporization: 66.631 kJ/mol; (19)Vapour Pressure: 0 mmHg at 25°C.
While using this chemical, you should be very cautious. This chemical is not only irritating to skin, but also irritating to eyes and respiratory system. Therefore, you should take the following instructions. Firstly, you should wear suitable protective clothing. Then in case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: C(CCC(=O)O)CC(CCS)S
(2)InChI: InChI=1/C8H16O2S2/c9-8(10)4-2-1-3-7(12)5-6-11/h7,11-12H,1-6H2,(H,9,10)
(3)InChIKey: IZFHEQBZOYJLPK-UHFFFAOYAP