3-(Methylthio)-1-hexanol Structure

3-(Methylthio)-1-hexanol

Chemical Properties

Boiling point 61-62 °C10 mm Hg(lit.)
Density  0.966 g/mL at 25 °C(lit.)
FEMA  3438 | 3-(METHYLTHIO)-1-HEXANOL
refractive index  n20/D 1.4759(lit.)
Flash point 226 °F
pka 14.90±0.10(Predicted)
Odor at 0.10 % in propylene glycol. sulfurous metallic green leafy vegetable
Odor Type sulfurous
biological source synthetic
JECFA Number 463
Major Application flavors and fragrances
InChI InChI=1S/C7H16OS/c1-3-4-7(9-2)5-6-8/h7-8H,3-6H2,1-2H3
InChIKey JSASXSHMJYRPCM-UHFFFAOYSA-N
SMILES C(O)CC(SC)CCC
LogP 1.81
CAS DataBase Reference 51755-66-9(CAS DataBase Reference)
Substances Added to Food (formerly EAFUS) 3-(METHYLTHIO)-1-HEXANOL
EWG's Food Scores 1
FDA UNII CFU4A74TQT
NIST Chemistry Reference 3-Methylthio-1-hexanol(51755-66-9)
UNSPSC Code 12352100
NACRES NA.21
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Safety

Symbol(GHS) GHS hazard pictograms
Signal wordWarning
Hazard statements H319-H335
Precautionary statements P261-P264-P271-P280-P304+P340+P312-P305+P351+P338
Hazard Codes  Xi
Risk Statements  36/37/38
Safety Statements  26-37/39
RIDADR  UN 3334
WGK Germany  3
HazardClass  9
HS Code  29309099
Storage Class 10 - Combustible liquids
Hazard Classifications Eye Irrit. 2
STOT SE 3
NFPA 704:
1
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