acetyl-laevo-methionine
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IUPAC name :2-acetamido-4-methylsulfanylbutanoic acid
InChI :InChI=1/C7H13NO3S/c1-5(9)8-6(7(10)11)3-4-12-2/h6H,3-4H2,1-2H3,(H,8,9)(H,10,11)
InChIKey :XUYPXLNMDZIRQH-UHFFFAOYAQ
SMILES :O=C(NC(C(=O)O)CCSC)C
cas number :65-82-7
(EINECS) number :200-617-7
beilstein number :1725552
molar refractivity :47.85 ± 0.5 cm3
parachor :395.8 ± 8.0 cm3
index of refraction :1.531 ± 0.05
surface tension :43.0 ± 7.0 dyne/cm
density :1.23 ± 0.1 g/cm3
polarizability :18.97 ± 0.5 10-24cm3
XlogP : -1.60
XlogP3 : 0.10
molecular weight : 191.2480200 (IUPAC)
formula :C7 H13 N O3 S
BioActivity Analysis :413656
NMR Predictor :Predict
 
 
export tariff code :2930.90.5050
fda reg :172.372

Suppliers :
Nanjing :(2S)-N-Acetyl-L-methionine
Sigma-Aldrich-Fluka :N-Acetyl-L-methionine
puriss., ≥99.0% (T)
TCI AMERICA :N-Acetyl-L-methionine
>98.0%(T)

organoleptics :

properties :
assay : 99.00 to 100.00 %   
Food Chemicals Codex Listed :No
optical rotation :-23.00 to -19.00
melting point : 105.00 to 108.00 °C. @ 760.00 mm Hg
flash point : 442.00  °F.  TCC  ( 227.78 °C. )
logP (o/w) : -0.03

safety :
most important hazard(s) :None - None found.
  S 02 - Keep out of the reach of children.
S 24/25 - Avoid contact with skin and eyes.
Oral Toxicity(LD50) :
  intravenous-Mouse    435.00  mg/kg
Research Progress in Organic-Biological and Medicinal Chemistry. Vol. 2, Pg. 262, 1970.

Dermal Toxicity(LD50) :
  Not determined
Inhalation Toxicity(LC50) :
  Not determined
 

safety in use :
 
recommendation for acetyl-laevo-methionine usage levels up to :
 not for fragrance use.

safety references :
EPI System :view
Chemical Carcinogenesis Research Information System :Search
Cancer Citations :Search
Toxicology Citations :Search
Env. Mutagen Info. Center :Search
EPA Chem. Sub. Inventory : Yes
 
WGK Germany :3
 
 
 
 2-acetamido-4-methylsulfanylbutanoic acid
(EINECS) number :200-617-7
RTECS :PD0480000 for 65-82-7
chemidplus :000065827
EPA Substance Registry Services :65-82-7
dtp/nci :118514

references :
 2-acetamido-4-methylsulfanylbutanoic acid
NIST Chemistry WebBook :1256970380
pubchem :149084

Cosmetics :
Cosmetic uses : skin conditioning

other :
CosIng :cosmetic data
FDA Everything Added to Food in the United States (EAFUS)View
synonyms :
2-acetamido-4-methylsulfanylbutanoic acid
 acetyl methionine
N-acetyl-laevo-methionine
laevo-(N-acetyl)methionine

soluble in :
 water, 307000 mg/L @ 25V

(odor and/or flavor) used in :
 biological additives
 skin conditioning

natural occurrence in :
not found in nature



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