CAS No.16052-42-9,(-)-Menthyl chloride Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	16052-42-9
Name:	(-)-Menthyl chloride
Article Data:	33

Formula:	C₁₀H₁₉Cl
Molecular Weight:	174.714
Synonyms:	Cyclohexane,2-chloro-4-methyl-1-(1-methylethyl)-, [1S-(1a,2b,4b)]-;p-Menthane, 3-chloro-,(1R,3R,4S)-(-)- (8CI);(-)-Menthyl chloride;(1R,2S,5R)-Menthyl chloride;Menthyl chloride;NSC 55430;l-Menthyl chloride;
EINECS:	240-200-7
Density:	0.92 g/cm³
Melting Point:	-20-16.5 °C
Boiling Point:	216.1 °C at 760 mmHg
Flash Point:	78.9 °C
Appearance:	colorless liquid
Safety:	23-24/25
PSA:	0.00000
LogP:	3.68600

Synthetic route

: 2216-51-5
(-)-menthol

: 16052-42-9
(1R,2S,5R)-menthyl chloride

Conditions

Conditions	Yield
With hydrogenchloride; zinc(II) chloride In water at 0 - 20℃; for 48h; Schlenk technique;	99%
With hydrogenchloride; zinc(II) chloride Substitution;	92%
With hydrogenchloride; zinc(II) chloride at 60℃; for 12h;	91%

: 61548-81-0
(1R,2S,5R)-2-isopropyl-5-methylcyclohexyl methanesulfonate

: 16052-42-9
(1R,2S,5R)-menthyl chloride

Conditions

Conditions	Yield
With chloro-trimethyl-silane; iron(III)-acetylacetonate In dichloromethane at 20℃; for 3h; Inert atmosphere;	99%

: 15356-60-2
(1S,2R,5S)-(+)-menthol

: 16052-42-9
(1R,2S,5R)-menthyl chloride

Conditions

Conditions	Yield
With Lucas' reagent	91%

: 1082742-74-2
C22H34O7S

: 16052-42-9
(1R,2S,5R)-menthyl chloride

Conditions

Conditions	Yield
With titanium tetrachloride In dichloromethane at -78℃; Inert atmosphere;	90%

: 2230-82-2
menthyl tosylate

: 16052-42-9
(1R,2S,5R)-menthyl chloride

Conditions

Conditions	Yield
With titanium tetrachloride In dichloromethane at -78℃; Inert atmosphere;	90%
With chloro-trimethyl-silane; iron(III)-acetylacetonate In dichloromethane at 20℃; for 20h; Inert atmosphere;	75%

: 117800-93-8
l-menthyl 8-quinolinesulfonate

: 16052-42-9
(1R,2S,5R)-menthyl chloride

Conditions

Conditions	Yield
With titanium tetrachloride In dichloromethane at -78℃; Inert atmosphere;	90%

: 2216-51-5
(-)-menthol

A: 16052-42-9
(1R,2S,5R)-menthyl chloride

B: 13371-12-5
neomenthyl chloride

Conditions

Conditions	Yield
With phosphorus pentachloride In pentane at -20℃; for 2.5h; Product distribution;	A 50% B 30%
With phosphorus pentachloride In pentane at -20℃; for 2.5h;	A 50% B 30%
With phosphorus pentachloride; iron(III) chloride In hexane at 0℃; for 1.5h; Title compound not separated from byproducts.;
With N-chloro-succinimide; para-thiocresol In dichloromethane Overall yield = 80 %Spectr.;	A n/a B n/a
Multi-step reaction with 3 steps 1.1: diethyl ether / 1.5 h / 0 - 23 °C / Inert atmosphere 1.2: 0 - 23 °C / Inert atmosphere 2.1: caesium carbonate / tetrahydrofuran; water / 0.17 h / 23 °C / Inert atmosphere 3.1: [4,4’-bis(1,1-dimethylethyl)-2,2’-bipyridine-N1,N1‘]bis [3,5-difluoro-2-[5-(trifluoromethyl)-2-pyridinyl-N]phenyl-C]iridium(III) hexafluorophosphate; Ethyl trichloroacetate / dichloromethane / 24 h / 27 °C / Inert atmosphere; Sealed tube; Irradiation View Scheme

: 72020-06-5, 80924-03-4, 97526-56-2, 123121-06-2, 128946-28-1, 128946-29-2, 128946-30-5, 128946-31-6, 134052-28-1
2-((1R,2S,5R)-2-isopropyl-5-methylcyclohexyloxy)tetrahydro-2H-pyran

A: 16052-42-9
(1R,2S,5R)-menthyl chloride

B: 13371-12-5
neomenthyl chloride

C: 5113-93-9
(1R)-trans-p-menth-2-ene

Conditions

Conditions	Yield
With dichloromethylenedimethyliminium chloride In acetonitrile at 0℃;	A 50 % Spectr. B 45 % Spectr. C 5 % Spectr.
With dichloromethylenedimethyliminium chloride In dichloromethane at 0℃;	A 18 % Spectr. B 42 % Spectr. C 40 % Spectr.

...Expand

: 87161-57-7
(1S,2S,4R)-2-bromo-1-isopropyl-4-methylcyclohexane

A: 16052-42-9
(1R,2S,5R)-menthyl chloride

B: 13371-12-5
neomenthyl chloride

Conditions

Conditions	Yield
With bismuth(III) chloride In 1,2-dichloro-ethane for 2h; Heating;

(-)-menthol: (-)-menthol

: 16052-42-9
(1R,2S,5R)-menthyl chloride

Conditions

Conditions	Yield
With phosphorus pentachloride; iron(III) chloride; Petroleum ether Kuehlung;

Raw Materials

100-47-0

Downstream Products

Total:25 Page 1 of 1 1

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Specification

The (-)-Menthyl chloride, with the CAS registry number 16052-42-9, is also known as [1S-(1alpha,2beta,4beta)]-2-Chloro-1-isopropyl-4-methylcyclohexane. It belongs to the product categories of Biochemistry; Monocyclic Monoterpenes and Terpenes. Its EINECS registry number is 240-200-7. This chemical's molecular formula is C₁₀H₁₉Cl and molecular weight is 174.71. What's more, its IUPAC name is 2-Chloro-4-methyl-1-propan-2-ylcyclohexane and systematic name is called 2-Chloro-4-methyl-1-(propan-2-yl)cyclohexane. It is colorless liquid. The (-)-Menthyl chloride is synthetic organic intermediates and used to synthetic family planning medicine Benzene alcohol ethers.

Physical properties about this chemical are: (1) ACD/LogP: 4.89; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): 4.89; (4) ACD/LogD (pH 7.4): 4.89; (5) ACD/BCF (pH 5.5): 3073.69; (6) ACD/BCF (pH 7.4): 3073.69; (7) ACD/KOC (pH 5.5): 10915.98; (8) ACD/KOC (pH 7.4): 10915.98; (9) #H bond acceptors: 0; (10) #H bond donors: 0; (11) #Freely Rotating Bonds: 1; (12) Polar Surface Area: 0 Å²; (13) Index of Refraction: 1.452; (14) Molar Refractivity: 51.04 cm³; (15) Molar Volume: 189.1 cm³; (16) Surface Tension: 27.1 dyne/cm; (17) Density: 0.92 g/cm³; (18) Flash Point: 78.9 °C; (19) Enthalpy of Vaporization: 43.4 kJ/mol; (20) Boiling Point: 216.1 °C at 760 mmHg; (21) Vapour Pressure: 0.209 mmHg at 25 °C; (22) Melting Point: -20-16.5 °C.

When you are dealing with this chemical, you should be very careful. You should avoid contacting with skin, eyes and do not breathe gas/fumes/vapour/spray.

You can still convert the following datas into molecular structure:
(1) SMILES: ClC1CC(CCC1C(C)C)C
(2) InChI: InChI=1/C10H19Cl/c1-7(2)9-5-4-8(3)6-10(9)11/h7-10H,4-6H2,1-3H3
(3) InChIKey: OMLOJNNKKPNVKN-UHFFFAOYAB