laevo-aspartic acid
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IUPAC name :(2S)-2-aminobutanedioic acid
InChI :InChI=1/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/t2-/m0/s1
InChIKey :CKLJMWTZIZZHCS-REOHCLBHBW
SMILES :C([C@@H](C(=O)O)N)C(=O)O
cas number :56-84-8
(EINECS) number :200-291-6
beilstein number :1723530
fema number :3656
coe number :10078
jecfa number :1429
fl. number :17.005
molar refractivity :27.20 ± 0.3 cm3
parachor :261.3 ± 4.0 cm3
index of refraction :1.531 ± 0.02
surface tension :78.2 ± 3.0 dyne/cm
density :1.514 ± 0.06 g/cm3
polarizability :10.78 ± 0.5 10-24cm3
XlogP : -3.70
XlogP3 : -2.80
molecular weight : 133.1026800 (IUPAC)
formula :C4 H7 N O4
BioActivity Analysis :119487
NMR Predictor :Predict
 
 
export tariff code :unspecified
fda reg :172.320
Suppliers :
Ajinomoto :L-ASPARTIC ACID
USP, EP
Penta :laevo-aspartic acid
Pfaltz & Bauer :L-Aspartic Acid
Sigma-Aldrich-SAFC :L-Aspartic acid
≥98%
TCI AMERICA :L-Aspartic Acid
>99.0%(T)
organoleptics :
odor type :odorless
odor strength :none
odor description :¹
at 100.00 %.  		odorless
odor sample from :Sigma-Aldrich Inc.
properties :
appearence :white crystalline powder
assay : 98.00 to 100.00 %   
Food Chemicals Codex Listed :No
melting point : 270.00 to 300.00 °C. @ 760.00 mm Hg
boiling point : 263.00 to 264.00 °C. @ 760.00 mm Hg
PH number :2.80
vapor pressure :0.00200 mm/Hg @ 25.00 °C.
flash point : 236.00  °F.  TCC  ( 113.33 °C. )
logP (o/w) : -0.67
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    6000.00  mg/kg
Pharmaceutical Chemistry Journal Vol. 25, Pg. 569, 1991.

Dermal Toxicity(LD50) :
  Not determined
Inhalation Toxicity(LC50) :
  Not determined
 
safety in use :
Maximised Survey-derived Daily Intakes (MSDI-EU) :68.00 (μg/capita/day)
 
recommendation for laevo-aspartic acid usage levels up to :
 not for fragrance use.
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
IUCLID :view
NIOSH International Chemical Safety Cards :search
NLM Hazardous Substances Data Bank :search
Chemical Carcinogenesis Research Information System :Search
AIDS Citations :Search
Cancer Citations :Search
Toxicology Citations :Search
EPA GENetic TOXicology :Search
Env. Mutagen Info. Center :Search
NLM Developmental and Reproductive Toxicity :Search
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
 
WGK Germany :2
 
 
 
 (2S)-2-aminobutanedioic acid
(EINECS) number :200-291-6
RTECS :56-84-8
chemidplus :000056848
EPA Substance Registry Services :56-84-8
dtp/nci :79553
references :
 (2S)-2-aminobutanedioic acid
fl. number :17.005
jecfa number :1429
NIST Chemistry WebBook :56848
pubchem :148792
Cosmetics :
Cosmetic uses : antistatic agents
hair conditioning
masking agents
skin conditioning
other :
reference : Luebke, William tgsc, (2007)¹
CosIng :cosmetic data
VCF-Online: VCF Volatile Compounds in Food
Dietary Supplements Labels Database : Search
FDA Everything Added to Food in the United States (EAFUS)View
synonyms :
(S)-aminobutane dioic acid
2-aminobutane doic acid
(2S)-2-aminobutanedioic acid
2-aminosuccinic acid
 asparagic acid
 asparaginic acid
(2S)-aspartic acid
(S)-aspartic acid
soluble in :
 propylene glycol
 water, 5390 mg/L @ 25C
insoluble in :
 water
(odor and/or flavor) used in :
 antistatic agents
natural occurrence in :
sugar beet
sugar cane



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