23832-18-0

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23832-18-0 Structure

Identification	Back Directory
[Name] PINANYL MERCAPTAN
[CAS] 23832-18-0
[Synonyms] FEMA 3503 PINANETHIOL mango thiol 2-pinanethiol 2-mercapto-pinan 2-mercaptopinane PINANYL MERCAPTAN 2(3)-Mercaptopinane 2,3OR10-MERCAPTOPINANE 2,(3),(10)-MERCAPTOPINANE 2, 3, AND 10-MERCAPTOPINANE 2- 3- AND 10-MERCAPTOPINANE 95% & 2,6,6-Trimethylbicyclo[3.1.1]heptan-2-thiol 2,6,6-trimethylbicyclo[3.1.1]heptane-2-thiol 2,6,6-trimethyl-bicyclo(3.1.1)heptane-2-thio 2,6,6-trimethyl-bicyclo[3.1.1]heptane-2-thio Bicyclo3.1.1heptane-2-thiol, 2,6,6-trimethyl- 2-,3-,10-Mercaptopinane mixture of isomers, FG 2,6,6 TRIMETHYL-BICYCLO[3.1.1]HEPTANE-(2,3 AND 10)-THIOL
[EINECS(EC#)] 245-900-6
[Molecular Formula] C10H18S
[MDL Number] MFCD00213571
[MOL File] 23832-18-0.mol
[Molecular Weight] 170.31

Chemical Properties	Back Directory
[Boiling point ] 142 °C20 mm Hg(lit.)
[density ] 0.98 g/mL at 25 °C(lit.)
[FEMA ] 3503 \| 2,3 OR 10-MERCAPTOPINANE
[refractive index ] n20/D 1.5(lit.)
[Fp ] 208 °F
[pka] 11.24±0.40(Predicted)
[Odor] at 0.10 % in dipropylene glycol. sulfury green tropical terpene woody berry seedy buchu
[biological source] synthetic
[Odor Type] sulfurous
[JECFA Number] 520
[InChI] InChI=1S/C10H18S/c1-9(2)7-4-5-10(3,11)8(9)6-7/h7-8,11H,4-6H2,1-3H3
[InChIKey] ZPUCQOXKFCVYGL-UHFFFAOYSA-N
[SMILES] C12CC(C1(C)C)CCC2(C)S
[LogP] 4.20
[EPA Substance Registry System] Bicyclo[3.1.1]heptane-2-thiol, 2,6,6-trimethyl- (23832-18-0)

Hazard Information	Back Directory
[Chemical Properties] 2-, 3- or 10-Mercaptopinane has a sulfurous, tropical fruit, mercaptan odor and a grapefruit taste. Contains approxi mately 54% 10-isomer, 31% 2-isomer and 10% 3-isomer.
[Uses] flavors and fragrances
[Taste threshold values] Taste characteristics: sulfurous, metallic, tropical, woody, fresh, green and cooling.

Spectrum Detail	Back Directory
[Spectrum Detail] PINANYL MERCAPTAN(23832-18-0)¹HNMR PINANYL MERCAPTAN(23832-18-0)IR PINANYL MERCAPTAN(23832-18-0)FT-IR

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