3-(methyl thio) propanol
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IUPAC name :3-methylsulfanylpropan-1-ol
InChI :InChI=1/C4H10OS/c1-6-4-2-3-5/h5H,2-4H2,1H3
InChIKey :CZUGFKJYCPYHHV-UHFFFAOYAC
SMILES :CSCCCO
cas number :505-10-2
(EINECS) number :208-004-6
fema number :3415
coe number :11554
jecfa number :461
fl. number :12.062
molar refractivity :30.11 ± 0.3 cm3
parachor :258.6 ± 4.0 cm3
index of refraction :1.479 ± 0.02
surface tension :35.4 ± 3.0 dyne/cm
density :1.001 ± 0.06 g/cm3
polarizability :11.93 ± 0.5 10-24cm3
XlogP : 0.90
molecular weight : 106.1866000 (IUPAC)
formula :C4 H10 O S
BioActivity Analysis :69451
NMR Predictor :Predict
 
 
export tariff code :unspecified
fda reg :unspecified
Suppliers :
Advanced Biotech :methionol
98% min. natural
Odor:  Meaty, Onion
Apple :3-Methylthiopropanol
Endeavour :3-(Methylthio)propanol
99%
Fleurchem :methionol (3 methyl thio-propanol)
Fontarome :METHIONOL
Odor:  Powerful and sweet soup or meat-like
Frutarom :3-(METHYLTHIO)PROPANOL (METHIONOL)
≥99.00%, NI, Kosher
Odor:  Meaty, Sweet, Vegetable
Suggested Uses: Cheese, Dairy Products, Savoury, Tomato, Vegetables
Hofmen :3-(Methylthio)-1-propanol
Mooreganics :Methionol
Natural (Organic Compliant)
Odor:  Strong, meaty, mushroom, soup like
Penta :3-(methylthio) propanol
SAFC Global® :3-(Methylthio)-1-propanol
≥98%, Kosher, FG
Odor:  earthy; alliaceous (onion, garlic); vegetable; meaty
Treatt :3-Methylthiopropanol
organoleptics :
odor type :meaty
odor strength :high ,
recommend smelling in a 0.10 % solution or less
odor description:
at 0.10 % in propylene glycol.  		sulfurous onion sweet soup vegetable
odor description:
SuIfureous and onion-like with a sweet, savory, soupy-cooked vegetable nuance
Mosciano, Gerard P&F 20, No. 1, 31, (1995)
taste description:
sweet soup meat
taste description:
Onion- and garlic-Iike, with a savory bouillion-like note
Mosciano, Gerard P&F 20, No. 1, 31, (1995)
properties :
appearence :pale yellow clear liquid
assay : 98.00 to 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :1.02500 to 1.17000 @ 25.00 °C.
pounds per gallon - calc. : 8.529 to 9.736
specific gravity :1.02700 to 1.03300 @ 25.00 °C.
pounds per gallon - calc. : 8.546 to 8.596
refractive index :1.48300 to 1.49300 @ 20.00 °C.
boiling point : 89.00 to 90.00 °C. @ 13.00 mm Hg
boiling point : 194.00 to 195.00 °C. @ 760.00 mm Hg
vapor density :3.6 ( Air = 1 )
flash point : 195.00  °F.  TCC  ( 90.56 °C. )
logP (o/w) : 0.40
safety :
most important hazard(s) :Xi - Irritant
  R 36/38 - Irritating to skin and eyes.
S 02 - Keep out of the reach of children.
S 24/25 - Avoid contact with skin and eyes.
S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S 37/39 - Wear suitable gloves and eye/face protection.
Oral Toxicity(LD50) : 
  Not determined
Dermal Toxicity(LD50) : 
  Not determined
Inhalation Toxicity(LC50) : 
  Not determined
 
safety in use :
Category :flavoring agents
Maximised Survey-derived Daily Intakes (MSDI-EU) :2.80 (μg/capita/day)
 
recommendation for 3-(methyl thio) propanol fragrance usage levels up to :
 not for fragrance use.
recommendation for 3-(methyl thio) propanol flavor usage levels up to :
  30.0000 ppm in the flavor.
safety references :
European Food Safety Athority(efsa) :Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies...
EPI System :view
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
 
WGK Germany :3
 
 
 
 
3-methylsulfanylpropan-1-ol
(EINECS) number :208-004-6
chemidplus :000505102
EPA Substance Registry Services :505-10-2
dtp/nci :2859
references :
 
3-methylsulfanylpropan-1-ol
fl. number :12.062
jecfa number :461
NIST Chemistry WebBook :3126468396
pubchem :153733
Flavornet :505-10-2
other :
VCF-Online: VCF Volatile Compounds in Food
FDA Everything Added to Food in the United States (EAFUS)View
synonyms :
gamma-hydroxypropyl methyl sulfide
 methionol
 methyl 3-hydroxypropyl sulfide
3-methyl mercapto-1-propanol
(methyl mercapto) propyl alcohol
gamma-methyl mercaptopropyl sulfide
3-methyl thio-1-propanol
3-(methyl thio) propyl alcohol
3-(methyl thio)-1-propanol
3-methyl thiopropanol
3-methyl thiopropyl alcohol
3-methylsulfanylpropan-1-ol
soluble in :
 alcohol
 dipropylene glycol
 oils
 propylene glycol
 water, slightly
insoluble in :
 water
stability :
 stable in most media
potential blenders :    note
 allyl methyl disulfideFL
 allyl methyl sulfideFL
 allyl methyl trisulfideFL
 allyl propyl disulfideFL
 allyl propyl sulfideFL
 allyl propyl trisulfideFL
2,3-butane diolCS
 diallyl polysulfidesFL
 diallyl trisulfideFL
 diethyl disulfideFL
 diethyl trisulfideFL
 diisopropyl sulfideFL
 diisopropyl trisulfideFL
 dimethyl disulfideFL
(Z+E)-2,5-dimethyl-3-tetrahydrofuran thiolFL
(Z+E)-2,5-dimethyl-3-thioacetoxytetrahydrofuranFL
 dipropyl disulfideFL
 dipropyl sulfideFL
 ethyl isothiocyanateFL
 ethyl methyl trisulfideFL
 ethyl propyl disulfideFL
 ethyl propyl trisulfideFL
 heptyl mercaptanFL
 meaty dithianeFL
3-mercapto-2-methyl pentanalFL
3-mercapto-2-methyl pentanolFL
(R*,S*)-2-mercapto-3-butanolFL
 methyl 2-thiofuroateFL
 methyl mercaptanFL
 methyl propyl disulfideFL
S-(methyl thio) butyrateFL
2-(methyl thio) methyl-2-butenalFL
1-(methyl thio)-2-butanoneFL
 propenyl propyl disulfideFL
 propyl mercaptanFL/FR
potential uses :
 beer
 cheese
 meat
 savory
 soup
 soy sauce
 tomato
 wine
natural occurrence in :    note
 apple  
 asparagus cooked asparagus S
 beer  
 brandy  
 cheese cheddar cheese  
 soy products  
 tomato  
 wine orange wine  
 wine white wine  

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