CAS No.498-81-7,Dihydroterpineol Suppliers

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Basic Information

Molecular Structure:
CAS No.:	498-81-7
Name:	Dihydroterpineol
Article Data:	29

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

Synthetic route

: 5718-78-5
p-4(8)-Menthene oxide

A: 498-81-7
p-menthan-8-ol

B: 470-65-5
p-menthane-4-ol

Conditions

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%

: 98-55-5
terpineol

: 498-81-7
p-menthan-8-ol

Conditions

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;

: 99-82-1, 1678-82-6, 6069-98-3, 129939-70-4, 129939-71-5
Menthane

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

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;

...Expand

: 917-64-6
methyl magnesium iodide

: 1879-06-7
4-acetyl-1-methylcyclohexane

: 498-81-7
p-menthan-8-ol

: 917-64-6
methyl magnesium iodide

: 41692-50-6
trans-4-methyl-1-(ethoxycarbonyl)cyclohexane

: 498-81-7
p-menthan-8-ol

: 89-78-1
menthol

: 98-55-5
terpineol

: 498-81-7
p-menthan-8-ol

Conditions

Conditions	Yield
With copper substances of uncertain configuration;
With nickel substances of uncertain configuration;

: 98-55-5
terpineol

A: 1197-01-9
p-cymene-8-ol

B: 498-81-7
p-menthan-8-ol

Conditions

Conditions	Yield
With palladium-catalysts at 100℃; substances of uncertain configuration;

: 106-22-9
Citronellol

: 498-81-7
p-menthan-8-ol

Conditions

Conditions	Yield
With benzoic acid In water at 100℃; Product distribution; sealed tube;	37 % Chromat.

: 7133-31-5
4-methylcyclohexanecarboxylic acid ethyl ester

: 74-88-4
methyl iodide

: 498-81-7
p-menthan-8-ol

Conditions

Conditions	Yield
With magnesium 1.)Et2O; Yield given. Multistep reaction;

4-nitro-benzoyl derivative of (+)-α-terpineol: 4-nitro-benzoyl derivative of (+)-α-terpineol

: 498-81-7
p-menthan-8-ol

Conditions

Conditions	Yield
With hydrogenchloride; ethanol; platinum Hydrogenation.Behandlung des Reaktionsprodukts mit aethanol. Alkalilauge; substances of uncertain configuration;

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Consensus Reports

Reported in EPA TSCA Inventory.

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%.

Dihydroterpineol can be prepared by p-4(8)-Menthene oxide at the ambient temperature

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%.

Dihydroterpineol can be used to produce N-p-menth-8-ylacetamide at the temperature of 20 °C

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.