acetyl-laevo-cysteine
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IUPAC name :(2R)-2-acetamido-3-sulfanylpropanoic acid
InChI :InChI=1/C5H9NO3S/c1-3(7)6-4(2-10)5(8)9/h4,10H,2H2,1H3,(H,6,7)(H,8,9)/t4-/m0/s1
InChIKey :PWKSKIMOESPYIA-BYPYZUCNBU
SMILES :CC(=O)N[C@@H](CS)C(=O)O
cas number :616-91-1
(EINECS) number :210-498-3
beilstein number :1724426
molar refractivity :38.25 ± 0.3 cm3
parachor :335.1 ± 4.0 cm3
index of refraction :1.518 ± 0.02
surface tension :49.9 ± 3.0 dyne/cm
density :1.294 ± 0.06 g/cm3
polarizability :15.16 ± 0.5 10-24cm3
XlogP : -2.30
XlogP3 : 0.40
molecular weight : 163.1948600
formula :C5 H9 N O3 S
BioActivity Analysis :409483
NMR Predictor :Predict
 
 
export tariff code :2930.90.5050
fda reg :unspecified

Suppliers :
Ajinomoto :N-ACETYL-L-CYSTEINE
USP, EP
Penta :N-acetyl-laevo-cysteine

organoleptics :

properties :
assay : 95.00 to 100.00 %   
Food Chemicals Codex Listed :No
melting point : 109.00 to 110.00 °C. @ 760.00 mm Hg
boiling point : 407.00 to 408.00 °C. @ 760.00 mm Hg
flash point : 392.00  °F.  TCC  ( 200.00 °C. )
logP (o/w) : -0.66

safety :
most important hazard(s) :None - None found.
  S 02 - Keep out of the reach of children.
S 22 - Do not breath dust.
S 24/25 - Avoid contact with skin and eyes.
Oral Toxicity(LD50) :
  Intraperitoneal-Mouse    400.00  mg/kg
National Technical Information Service. Vol. AD691-490

intravenous-Mouse    3800.00  mg/kg
Journal of Medicinal Chemistry. Vol. 10, Pg. 1172, 1967.

Oral-Mouse    4400.00  mg/kg
European Patent Application. Vol. #0192191

intravenous-Rat    1140.00  mg/kg
European Journal of Respiratory Diseases.

Oral-Rat    5050.00  mg/kg
Toxicology and Applied Pharmacology. Vol. 18, Pg. 185, 1971.

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

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

safety references :
EPI System :view
ClinicalTrials.gov :search
Daily Med :search
NLM Hazardous Substances Data Bank :search
Chemical Carcinogenesis Research Information System :Search
AIDS Citations :Search
Cancer Citations :Search
Toxicology Citations :Search
Carcinogenic Potency Database :Search
Env. Mutagen Info. Center :Search
NLM Developmental and Reproductive Toxicity :Search
National Toxicology Program :Search
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
 
 
 
 (2R)-2-acetamido-3-sulfanylpropanoic acid
(EINECS) number :210-498-3
RTECS :HA1660000 for 616-91-1
chemidplus :000616911
EPA Substance Registry Services :616-91-1
dtp/nci :111180

references :
 (2R)-2-acetamido-3-sulfanylpropanoic acid
NIST Chemistry WebBook :616911
pubchem :155349

Cosmetics :
Cosmetic uses : antioxidants
skin conditioning

other :
CosIng :cosmetic data
Dietary Supplements Labels Database : Search
synonyms :
(2R)-2-acetamido-3-sulfanylpropanoic acid
laevo-alpha-acetamido-beta-mercaptopropionic acid
 acetyl cysteine
N-acetyl-3-mercaptoalanine
N-acetyl-laevo-cysteine
 lysomucil
 mercapturic acid

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

natural occurrence in :
not found in nature



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