2-mercaptopropionic acid
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IUPAC name :2-sulfanylpropanoic acid
InChI :InChI=1/C3H6O2S/c1-2(6)3(4)5/h2,6H,1H3,(H,4,5)
InChIKey :PMNLUUOXGOOLSP-UHFFFAOYAP
SMILES :CC(C(=O)O)S
cas number :79-42-5
(EINECS) number :201-206-5
beilstein number :0506218
fema number :3180
coe number :11790
jecfa number :551
fl. number :12.039
molar refractivity :25.36 ± 0.3 cm3
parachor :222.5 ± 4.0 cm3
index of refraction :1.494 ± 0.02
surface tension :42.6 ± 3.0 dyne/cm
density :1.218 ± 0.06 g/cm3
polarizability :10.05 ± 0.5 10-24cm3
XlogP : 0.40
molecular weight : 106.1435400 (IUPAC)
formula :C3 H6 O2 S
NMR Predictor :Predict
 
 
export tariff code :2918.11.0000
fda reg :unspecified
Suppliers :
Endeavour :2-Mercaptopropionic acid
98%
Frutarom :2-MERCAPTOPROPIONIC ACID
≥95.00%, Kosher
Odor:  Cheese, Sour
Suggested Uses: Cheese, Dairy Products, Meat
Inoue :ALPHA-MERCAPTOPROPIONIC ACID
Penta :2-mercaptopropionic acid
SAFC Global® :2-Mercaptopropionic acid
≥95%, Kosher
Odor:  meaty
Treatt :2-Mercaptopropionic acid
organoleptics :
odor type :sulfurous
odor strength :very high
odor description:
at 0.01 % in propylene glycol.  		meaty sulfurous roasted
odor description:
Sulfury, meaty savory, brown with roasted brown nuances
Mosciano, Gerard P&F 17, No. 5, 127, (1992)
taste description:
at 15.00 ppm.  		Meaty, sulfury, brothy, brown
Mosciano, Gerard P&F 17, No. 5, 127, (1992)
substantivity :400  Hour(s)
properties :
appearence :colorless to pale yellow clear oily liquid
assay : 96.00 to 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :1.19200 to 1.20000 @ 25.00 °C.
pounds per gallon - calc. : 9.919 to 9.985
refractive index :1.47900 to 1.48400 @ 20.00 °C.
melting point : 10.00 to 14.00 °C. @ 760.00 mm Hg
boiling point : 117.00 °C. @ 16.00 mm Hg
boiling point : 98.00 to 99.00 °C. @ 14.00 mm Hg
vapor density :3.6 ( Air = 1 )
flash point : 190.00  °F.  TCC  ( 87.78 °C. )
logP (o/w) : 0.45
safety :
most important hazard(s) :C - Corrosive.
  R 25 - Toxic if swallowed.
R 34 - Causes burns.
S 01/02 - Keep locked up and out of the reach of children.
S 20/21 - When using do not eat, drink or smoke.
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 36/37/39 - Wear suitable clothing, 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) :2.10 (μg/capita/day)
 
recommendation for 2-mercaptopropionic acid fragrance usage levels up to :
 not for fragrance use.
recommendation for 2-mercaptopropionic acid flavor usage levels up to :
  50.0000 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
Cancer Citations :Search
Toxicology Citations :Search
Env. Mutagen Info. Center :Search
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
WISER :UN 2936
 
WGK Germany :1
 
 
 
 
2-sulfanylpropanoic acid
(EINECS) number :201-206-5
RTECS :UF5250000 for cas# 79-42-5
chemidplus :000079425
EPA/NOAA CAMEO :hazardous materials
EPA Substance Registry Services :79-42-5
references :
 
2-sulfanylpropanoic acid
fl. number :12.039
jecfa number :551
NIST Chemistry WebBook :715735476
pubchem :203601
Cosmetics :
Cosmetic uses : antioxidants
depilatories
hair straightening agents
hair waving agents
masking agents
reducing agents
other :
CosIng :cosmetic data
FDA Everything Added to Food in the United States (EAFUS)View
Household Products : Search
synonyms :
2-mercaptopropanoic acid
alpha-mercaptopropanoic acid
2-mercaptopropionic acid
alpha-mercaptopropionic acid
2-sulfanylpropanoic acid
2-thiol propionic acid
 thiolactic acid
2-thiolactic acid
soluble in :
 acetone
 alcohol
 water
potential blenders :    note
1,2-butane dithiolFL
1,3-butane dithiolFL
2,3-butane dithiolFL
 celery seed oleoresinFL
 difurfuryl sulfideFL
2,5-dihydroxy-1,4-dithianeFL
2,6-dimethyl thiophenolFL
2,5-dimethyl-3-furan thiolFL
(Z+E)-2,5-dimethyl-3-tetrahydrofuran thiolFL
(Z+E)-2,5-dimethyl-3-thioacetoxytetrahydrofuranFL
 ethyl 4-(acetyl thio) butyrateFL
2-ethyl benzene thiolFL
 fish thiolFL
 furfuryl mercaptanFL/FR
 hexyl mercaptanFL
 meaty dithianeFL
(R*,S*)-2-mercapto-3-butanolFL
 methyl 2-methyl-3-furyl disulfideFL
4-methyl 4-mercaptopentan-2-one 1% in pgFL/FR
12-methyl tridecanalFL
2-methyl-3-furyl tetrasulfideFL
S-(2-methyl-3-furyl) ethane thioateFL
2-methyl-3-tetrahydrofuran thiolFL
2-naphthyl mercaptanFL
1,9-nonane dithiolFL
 nutty thiazoleFL
1,8-octane dithiolFL
4-penten-1-yl acetateFL
1,3-propane dithiolFL
isopropyl disulfideFL
isopropyl mercaptanFL
 pyrazinyl ethane thiolFL
 roasted butanolFL
ortho-thiocresolFL
potential uses :
 antioxidants
 coffee
 depilatories
 egg
 hair straightening agents
 hair waving agents
 meat
 reducing agents
 savory
 soup
natural occurrence in :    note
 not found in nature  

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