21378-21-2

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21378-21-2 Structure

Identification	Back 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 Properties	Back 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 Data	Back Directory
[Symbol(GHS) ] 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 Information	Back 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 Detail	Back 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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