ChemicalBook--->CAS DataBase List--->104870-56-6

104870-56-6

104870-56-6 Structure

104870-56-6 Structure
IdentificationBack Directory
[Name]

(+)-ISOPULEGOL
[CAS]

104870-56-6
[Synonyms]

(+)-ISOPULEGOL
terpenestandard
(1S,3S,4R)-P-MENTH-8-EN-3-OL
(1S,2R,5S)-2-ISOPROPENYL-5-METHYLCYCLOHEXANOL
(1S,2R,5S)-5-Methyl-2-(prop-1-en-2-yl)cyclohexanol
(1S,2R,5S)-5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol
Cyclohexanol,5-methyl-2-(1-methylethenyl)-, (1S,2R,5S)-
(1S,3S,4R)-p-Menth-8-en-3-ol, (1S,2R,5S)-2-Isopropenyl-5-methylcyclohexanol
[Molecular Formula]

C10H18O
[MDL Number]

MFCD00213790
[MOL File]

104870-56-6.mol
[Molecular Weight]

154.25
Chemical PropertiesBack Directory
[Boiling point ]

91 °C12 mm Hg(lit.)
[density ]

0.912 g/mL at 25 °C(lit.)
[refractive index ]

n20/D 1.469(lit.)
[Fp ]

172 °F
[storage temp. ]

Store at -20°C
[solubility ]

Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.
[form ]

neat
[pka]

15.11±0.60(Predicted)
[Optical Rotation]

[α]20/D +22°, neat
[BRN ]

4659691
[Major Application]

food and beverages
[InChI]

1S/C10H18O/c1-7(2)9-5-4-8(3)6-10(9)11/h8-11H,1,4-6H2,2-3H3/t8-,9+,10-/m0/s1
[InChIKey]

ZYTMANIQRDEHIO-AEJSXWLSSA-N
[SMILES]

C[C@H]1CC[C@@H]([C@@H](O)C1)C(C)=C
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H335
[Precautionary statements ]

P261-P264-P270-P301+P312-P302+P352-P305+P351+P338
[Hazard Codes ]

Xn
[Risk Statements ]

22-36/37/38
[Safety Statements ]

26-36/37/39
[RIDADR ]

NA 1993 / PGIII
[WGK Germany ]

3
[F ]

10-23
[Storage Class]

10 - Combustible liquids
[Hazard Classifications]

Acute Tox. 4 Oral
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
Hazard InformationBack Directory
[Uses]

(+)-Isopulegol can be used as a starting material to synthesize:
  • A natural product (?)-isopiperitenone.
  • Medicinally important octahydro-2H-chromen-4-ol derivatives by reacting with benzaldehydes.
  • Antituberculosis diterpenoid named 12-epi-ileabethoxazole.

[Uses]

(+)-Isopulegol is a useful biochemical for research studies on terpenoids. A terpenoid with other numerous medical applications.
[General Description]

Isopulegol is a monoterpene alcohol, which is generally found in essential oils of various plants. It is widely used as a fragrance ingredient in cosmetics, shampoos and toilet soaps. Isopulegol is also a key intermediate in the synthesis of (?)-menthol.
[storage]

Store at -20°C
Spectrum DetailBack Directory
[Spectrum Detail]

(+)-ISOPULEGOL(104870-56-6)IR
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