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21378-21-2

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21378-21-2 Structure

21378-21-2 Structure
IdentificationBack Directory
[Name]

3-METHYL-2-CYCLOHEXEN-1-OL
[CAS]

21378-21-2
[Synonyms]

Seudenol
3-Methyl-2-cyclohexenol
3-methyl-2-cyclohexen-1-o
1-Methyl-1-cyclohexen-3-ol
3-methyl-1-cyclohex-2-enol
3-methylcyclohex-2-en-1-ol
3-METHYL-2-CYCLOHEXEN-1-OL
1-Methyl-1-cyclohexene-3-ol
3-METHYL-2-CYCLOHEXEN-1-OL ISO 9001：2015 REACH
[EINECS(EC#)]

244-353-0
[Molecular Formula]

C7H12O
[MDL Number]

MFCD00001553
[MOL File]

21378-21-2.mol
[Molecular Weight]

112.17
Chemical PropertiesBack Directory
[Boiling point ]

56 °C1 mm Hg(lit.)
[density ]

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

n20/D 1.484(lit.)
[Fp ]

161 °F
[storage temp. ]

2-8°C
[pka]

14.72±0.40(Predicted)
[InChI]

1S/C7H12O/c1-6-3-2-4-7(8)5-6/h5,7-8H,2-4H2,1H3
[InChIKey]

XNDZQQSKSQTQQD-UHFFFAOYSA-N
[SMILES]

CC1=CC(O)CCC1
[EPA Substance Registry System]

2-Cyclohexen-1-ol, 3-methyl- (21378-21-2)
Safety DataBack Directory
[Symbol(GHS) ]

GHS hazard pictograms
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P261-P305+P351+P338
[WGK Germany ]

3
[TSCA ]

TSCA listed
[Storage Class]

10 - Combustible liquids
Hazard InformationBack Directory
[Uses]

3-Methyl-2-cyclohexen-1-ol was used in the synthesis of 19-nor-1α, 25-dihydroxyvitamin D(3) derivatives. It was also used in sex pheromone of the Douglas-fir beetle.
[Synthesis Reference(s)]

Tetrahedron Letters, 14, p. 1385, 1973 DOI: 10.1016/S0040-4039(01)95950-7
Tetrahedron, 43, p. 2249, 1987 DOI: 10.1016/S0040-4020(01)86808-3
Spectrum DetailBack Directory
[Spectrum Detail]

3-METHYL-2-CYCLOHEXEN-1-OL(21378-21-2)MS
3-METHYL-2-CYCLOHEXEN-1-OL(21378-21-2)1HNMR
3-METHYL-2-CYCLOHEXEN-1-OL(21378-21-2)13CNMR
3-METHYL-2-CYCLOHEXEN-1-OL(21378-21-2)IR1
3-METHYL-2-CYCLOHEXEN-1-OL(21378-21-2)Raman
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