(1S,2R,5S)-(+)-Menthyl (R)-p-toluenesulfinate

Basic Information

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CAS Number

91796-57-5

Molecular Formula

C17H26O2S

Molecular Weight

294.46 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Melting Point

102.0 to 106.0 deg-C

Density

1.08±0.1 g/cm3 (20 ºC 760 Torr),

Solubility

Insuluble (3.2E-3 g/L) (25 ºC),

Refractive Index

200 ° (C=2, Acetone)

SMILES

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CC1CCC(C(C1)OS(=O)C2=CC=C(C=C2)C)C(C)C

InChI

InChI=1S/C17H26O2S/c1-12(2)16-10-7-14(4)11-17(16)19-20(18)15-8-5-13(3)6-9-15/h5-6,8-9,12,14,16-17H,7,10-11H2,1-4H3/t14-,16?,17?,20+/m0/s1

InChIKey

NQICGNSARVCSGJ-CYKOAPEFSA-N

LogP

4.495020000000004

Topological Polar Surface Area

26.3 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

321

Synonyms & References

English

(1S,2R,5S)-(+)-Menthyl (R)-p-Toluenesulfinate
(+)-(1S)-Menthyl (R)-p-toluenesulfinate
Benzenesulfinic acid, 4-methyl-,(1S,2R,5S)-5-methyl-2-(1-methylethyl)cyclohexylester, [S(R)]-
(+)-Menthyl (R)-p-toluenesulfinate
p-Toluenesulfinic acid (1R)-5beta-methyl-2beta-isopropylcyclohexan-1beta-yl ester
[(1R,2R,5R)-5-Methyl-2-propan-2-ylcyclohexyl] 4-methylbenzenesulfinate
(1S,2R,5S)-5-Methyl-2-(1-methylethyl)cyclohexyl [S(R)]-4-methylbenzenesulfinate (ACI)
Benzenesulfinic acid, 4-methyl-, 5-methyl-2-(1-methylethyl)cyclohexyl ester, [1S-[1α(S*),2β,5α]]- (ZCI)
(+)-Andersen's sulfinate
(1S,2R,5S)-(+)-Menthyl (R)-p-toluenesulfinate
(1R,2S,5R)-2-isopropyl-5-methylcyclohexyl 4-methylbenzenesulfinate
M1044
Benzenesulfinic acid, 4-methyl-, (1r,2s,5r)-5-methyl-2-(1-methylethyl)cyclohexyl ester
(+)-(1S)-Menthyl (R)-p-toluenesulfinate, >=98.0% (sum of enantiomers, HPLC)
SCHEMBL2793416
1517-82-4
MFCD09864860
(S)-((1R,2S,5R)-2-isopropyl-5-methylcyclohexyl)4-methylbenzenesulfinate
[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 4-methylbenzenesulfinate
(1R,2S,5R)-(-)-Menthyl (S)-p-toluenesulfinate
Benzenesulfinic acid,4-methyl-,(1S,2R,5S)-5-methyl-2-(1-methylethyl)cyclohexylester,[s(R)]-
(S)-((1R,2S,5R)-2-isopropyl-5-methylcyclohexyl) 4-methylbenzenesulfinate
20752-45-8
91796-57-5
(-)-menthyl p-toluenesulfinate
DB-197805

MDL Number

MFCD00064472

FAQ

What regulatory guidelines apply to (1S,2R,5S)-(+)-Menthyl (R)-p-toluenesulfinate (CAS: 91796-57-5)?

The regulatory guidelines for (1S,2R,5S)-(+)-Menthyl (R)-p-toluenesulfinate (CAS: 91796-57-5) include the Globally Harmonized System of Classification and Labelling of Chemicals (GHS), REACH regulations, and FDA/EPA requirements. GHS categorizes this compound based on its physical and health hazards, while REACH requires manufacturers to register substances above a certain tonnage and provide safety data sheets for downstream users. FDA and EPA may regulate its use in specific applications such as food additives and pesticides.

Are there alternatives to (1S,2R,5S)-(+)-Menthyl (R)-p-toluenesulfinate (CAS: 91796-57-5) in synthesis?

Yes, there are alternatives to (1S,2R,5S)-(+)-Menthyl (R)-p-toluenesulfinate (CAS: 91796-57-5) in synthesis. For example, other menthyl sulfonates like (1R,2S,5S)-menthyl (S)-p-toluenesulfinate or other p-toluenesulfinate derivatives can be used. Additionally, using different functional groups such as carboxylic acids or esters can also provide viable alternatives, depending on the specific application and desired properties.

What is the market or research trend for (1S,2R,5S)-(+)-Menthyl (R)-p-toluenesulfinate (CAS: 91796-57-5)?

The market trend for (1S,2R,5S)-(+)-Menthyl (R)-p-toluenesulfinate (CAS: 91796-57-5) shows increasing demand in the pharmaceutical and flavor & fragrance industries. Research trends are focused on its use as a chiral building block in asymmetric synthesis, as well as in the development of new drug delivery systems. The trend also includes exploring its potential in green chemistry applications and sustainable production methods.

How should waste containing (1S,2R,5S)-(+)-Menthyl (R)-p-toluenesulfinate (CAS: 91796-57-5) be handled?

Waste containing (1S,2R,5S)-(+)-Menthyl (R)-p-toluenesulfinate (CAS: 91796-57-5) should be collected in properly labeled containers and disposed of according to local regulations. For large quantities, professional waste disposal services should be used. Incineration is a common method, but closed-loop incineration systems should be employed to minimize environmental impact. Environmental protection precautions include proper ventilation and personal protective equipment to prevent exposure to the compound during handling and disposal processes.