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| CAS No.: | 462-20-4 |
|---|---|
| Name: | DIHYDROLIPOIC ACID |
| Article Data: | 63 |
| Molecular Structure: | |
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|
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| Formula: | C8H16O2S2 |
| Molecular Weight: | 208.346 |
| Synonyms: | (?à)-Dihydro-a-lipoic acid;(?à)-Dihydrolipoic acid;6,8-Dihydrothioctic acid;6,8-Dimercaptooctanoic acid;6,8-Dithiooctanoic acid;DL-Dihydro-a-lipoic acid;Dihydrolipoic acid;Dihydrothioctic acid;Reduced lipoic acid;Reduced thioctic acid;Thiocticacid, dihydro-;dl-Dihydrolipoic acid;a-Lipoic acid, dihydro-;g-Lipoic acid; |
| Density: | 1.134 g/cm3 |
| Melting Point: | 60ºC |
| Boiling Point: | 360.8 °C at 760 mmHg |
| Flash Point: | 172 °C |
| Appearance: | light yellow liquid |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 26-36 |
| PSA: | 114.90000 |
| LogP: | 2.24970 |
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- 68439-39-4Poly(oxy-1,2-ethanediyl), alpha-(2-ethylhexyl)-omega-hydroxy-,
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- 958254-66-51H-Imidazo[4,5-b]pyridine-2-carboxaldehyde, 1-methyl-, hydrochloride
- 1077-28-7, 62-46-4
Thioctic acid
- 462-20-4
dihydrolipoic acid
| Conditions | Yield |
|---|---|
| With sodium tetrahydroborate; sodium hydrogencarbonate In water at 20℃; for 3h; | 100% |
| Stage #1: Thioctic acid With sodium hydrogencarbonate In water Stage #2: With sodium tetrahydroborate In water at 0 - 20℃; for 1.33333h; Stage #3: With hydrogenchloride In water at 0℃; pH=1; | 100% |
| With sodium tetrahydroborate; sodium hydrogencarbonate at 0℃; for 3h; | 99.5% |
| Conditions | Yield |
|---|---|
| With hydrogenchloride; sodium borohydrid; sodium hydrogencarbonate In water | 100% |
| With sodium tetrahydroborate; sodium hydrogencarbonate In water at 5 - 20℃; for 1.25h; | 96.8 mg |
| Conditions | Yield |
|---|---|
| With hydrogen bromide anschliessend mit wss. Natronlauge; |
- 82725-55-1
2-(2-Benzoyloxyethyl)cyclohexanone
- 462-20-4
dihydrolipoic acid
| Conditions | Yield |
|---|---|
| (i) AcOOH, (ii) thiourea, aq. HI, (iii) aq. KOH; Multistep reaction; |
- 27565-41-9
1,4-dithio-D,L-threitol
- 1077-28-7, 62-46-4
Thioctic acid
A
- 462-20-4
dihydrolipoic acid
- 16096-98-3, 37031-12-2, 40227-25-6, 74185-01-6, 86023-22-5, 89825-28-5, 14193-38-5
trans-1,2-dithiane-4,5-diol
| Conditions | Yield |
|---|---|
| In water-d2 for 48h; Equilibrium constant; phosphate buffer (pD 7.0); also in CD3OD/D2O; |
- 131760-67-3
N,N'-dimethyl-N,N'-bis(mercaptoacetyl)hydrazine
- 1077-28-7, 62-46-4
Thioctic acid
A
- 462-20-4
dihydrolipoic acid
B
- 131760-68-4
1,2-dimethyl-3,8-dioxo-1,2,5,6-diazadithiocane
| Conditions | Yield |
|---|---|
| With buffer (pH 7.0, 2 mM EDTA, 0.1 M phosphate) Equilibrium constant; |
- 60-24-2
2-hydroxyethanethiol
- 1077-28-7, 62-46-4
Thioctic acid
A
- 462-20-4
dihydrolipoic acid
B
- 1892-29-1
bis(2-hydroxyethyl) disulfide
| Conditions | Yield |
|---|---|
| In water-d2 for 48h; Equilibrium constant; phosphate buffer (pD 7.0); also in CD3OD/D2O; |
A
- 462-20-4
dihydrolipoic acid
B
- 1077-28-7, 62-46-4
Thioctic acid
| Conditions | Yield |
|---|---|
| With potassium hydroxide; water for 3h; Hydrolysis; Rearrangement; Cyclization; Heating; Title compound not separated from byproducts; |
- 462-20-4
dihydrolipoic acid
| Conditions | Yield |
|---|---|
| With phosphoric acid | |
| With ammonia; sodium; toluene |
- 462-20-4
dihydrolipoic acid
| Conditions | Yield |
|---|---|
| With sodium hydroxide beim Erhitzen des Reaktionsprodukts mit Thioharnstoff und wss. Jodwasserstoffsaeure und anschliessend Erhitzen mit wss. Natronlauge; | |
| With sodium hydroxide beim Erhitzen des Reaktionsprodukts mit Thioharnstoff und wss. Jodwasserstoffsaeure und anschliessend Erhitzen mit wss. Natronlauge; |
- Total:38 Page 1 of 1 1
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Specification
This chemical is called Octanoic acid, 6,8-dimercapto-, and its systematic name is 6,8-disulfanyloctanoic acid. With the molecular formula of C8H16O2S2, its molecular weight is 208.34. The CAS registry number of this chemical is 462-20-4.
Other characteristics of the Octanoic acid, 6,8-dimercapto- can be summarised as followings: (1)ACD/LogP: 2.07; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.24; (4)ACD/BCF (pH 5.5): 3.252; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 46.926; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 9; (11)Polar Surface Area: 114.9 ?2; (12)Index of Refraction: 1.527; (13)Molar Refractivity: 56.428 cm3; (14)Molar Volume: 183.688 cm3; (15)Polarizability: 22.37×10-24cm3; (16)Surface Tension: 44.087 dyne/cm; (17)Density: 1.134 g/cm3; (18)Flash Point: 172.027 °C; (19)Enthalpy of Vaporization: 66.631 kJ/mol; (20)Boiling Point: 360.834 °C at 760 mmHg; (21)Vapour Pressure: 0 mmHg at 25°C.
Uses of this chemical: The Octanoic acid, 6,8-dimercapto- could react with benzaldehyde, and obtain the 5-(2-phenyl-[1,3]dithian-4-yl)-valeric acid. This reaction needs the reagent of polyphosphoric acid trimethylsilyl ester, and the solvent of CH2Cl2. The yield is 60%. In addition, this reaction should be taken for 2 hours at the temperature of 20 °C.
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When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes, respiratory system and skin. You should wear suitable protective clothing if you use it. In case of contacting with eyes, 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
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intraperitoneal | 100mg/kg (100mg/kg) | National Technical Information Service. Vol. AD277-689, |