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| CAS No.: | 498-81-7 |
|---|---|
| Name: | Dihydroterpineol |
| Molecular Structure: | |
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| Formula: | C10H20O |
| Molecular Weight: | 156.268 |
| Synonyms: | p-Menthan-8-ol(6CI,7CI,8CI);8-p-Menthanol;Dihydro-a-terpineol;Cyclohexanemethanol, a,a,4-trimethyl-;2-(4-Methylcyclohexyl)-2-propanol;alpha,alpha,4-Trimethylcyclohexanemethanol;p-Menthan-8-ol; |
| EINECS: | 207-871-8 |
| Density: | 0.9 g/cm3 |
| Boiling Point: | 212.223 °C at 760 mmHg |
| Flash Point: | 89.708 °C |
| Appearance: | Clear liquid |
| PSA: | 20.23000 |
| LogP: | 2.58360 |
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| Conditions | Yield |
|---|---|
| With lithium In ethylenediamine for 0.5h; | A 95% B 5% |
| With lithium aluminium tetrahydride; aluminium trichloride In diethyl ether for 8h; Ambient temperature; | A 23% B 70% |
| Conditions | Yield |
|---|---|
| With palladium on activated charcoal; hydrogen In methanol for 8h; | 93.5% |
| With 5%-palladium/activated carbon; hydrogen In methanol for 12h; | 93.5% |
| With hydrogen; nickel Hydrogenation; |
A
- 498-81-7
p-menthan-8-ol
B
- 3901-93-7, 3901-95-9, 21129-27-1
1-methyl-4-(1-methylethyl)cyclohexanol
C
- 470-65-5
p-menthane-4-ol
| Conditions | Yield |
|---|---|
| With deuterioporphyrin dimethyl ester ferric chloride In dichloromethane at 130℃; for 18h; Catalytic behavior; Reagent/catalyst; Temperature; | A 34.44% B 5.71% C 49.16% |
| With C32H32CoN4O4 at 130℃; under 760.051 Torr; for 17h; Reagent/catalyst; Overall yield = 10.2 %; chemoselective reaction; |
- 917-64-6
methyl magnesium iodide
- 41692-50-6
trans-4-methyl-1-(ethoxycarbonyl)cyclohexane
- 498-81-7
p-menthan-8-ol
| Conditions | Yield |
|---|---|
| With copper substances of uncertain configuration; | |
| With nickel substances of uncertain configuration; |
| Conditions | Yield |
|---|---|
| With palladium-catalysts at 100℃; substances of uncertain configuration; |
| Conditions | Yield |
|---|---|
| With benzoic acid In water at 100℃; Product distribution; sealed tube; | 37 % Chromat. |
| Conditions | Yield |
|---|---|
| With magnesium 1.)Et2O; Yield given. Multistep reaction; |
- 498-81-7
p-menthan-8-ol
| Conditions | Yield |
|---|---|
| With hydrogenchloride; ethanol; platinum Hydrogenation.Behandlung des Reaktionsprodukts mit aethanol. Alkalilauge; substances of uncertain configuration; |
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Consensus Reports
Specification
The Dihydroterpineol, with the CAS registry number 498-81-7, is also known as alpha,alpha,4-Trimethylcyclohexanemethanol. It belongs to the product category of Pharmaceutical Intermediates. Its EINECS number is 207-871-8. This chemical's molecular formula is C10H20O and molecular weight is 156.27. What's more, its systematic name is 2-(4-Methylcyclohexyl)-2-propanol. Its classification code is Skin / Eye Irritant.
Physical properties of Dihydroterpineol are: (1)ACD/LogP: 3.092; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.09; (4)ACD/LogD (pH 7.4): 3.09; (5)ACD/BCF (pH 5.5): 131.76; (6)ACD/BCF (pH 7.4): 131.76; (7)ACD/KOC (pH 5.5): 1145.38; (8)ACD/KOC (pH 7.4): 1145.38; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 20.23 Å2; (13)Index of Refraction: 1.459; (14)Molar Refractivity: 47.476 cm3; (15)Molar Volume: 173.691 cm3; (16)Polarizability: 18.821×10-24cm3; (17)Surface Tension: 31.10 dyne/cm; (18)Density: 0.9 g/cm3; (19)Flash Point: 89.708 °C; (20)Enthalpy of Vaporization: 52.168 kJ/mol; (21)Boiling Point: 212.223 °C at 760 mmHg; (22)Vapour Pressure: 0.039 mmHg at 25°C.
Preparation: this chemical can be prepared by p-4(8)-Menthene oxide at the ambient temperature. This reaction will need reagents LiAlH4, AlCl3 and solvent diethyl ether with the reaction time of 8 hours. The yield is about 70%.
Uses of Dihydroterpineol: it can be used to produce N-p-menth-8-ylacetamide at the temperature of 20 °C. It will need reagent H2SO4 with the reaction time of 2 days. The yield is about 95%.
You can still convert the following datas into molecular structure:
(1)SMILES: OC(C)(C)C1CCC(C)CC1
(2)Std. InChI: InChI=1S/C10H20O/c1-8-4-6-9(7-5-8)10(2,3)11/h8-9,11H,4-7H2,1-3H3
(3)Std. InChIKey: UODXCYZDMHPIJE-UHFFFAOYSA-N
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| rabbit | LD50 | skin | > 5gm/kg (5000mg/kg) | Food and Cosmetics Toxicology. Vol. 12, Pg. 529, 1974. | |
| rat | LD50 | oral | > 5gm/kg (5000mg/kg) | Food and Cosmetics Toxicology. Vol. 12, Pg. 529, 1974. |