(E)-aconitic acid
Suppliers  organoleptics  properties  safety  references    FEMA Index    Home Page
 
Right Click Picture For More Options. (Safari 1.2 (v125) Compatible).
 
IUPAC name :(E)-prop-1-ene-1,2,3-tricarboxylic acid
InChI :InChI=1/C6H6O6/c7-4(8)1-3(6(11)12)2-5(9)10/h1H,2H2,(H,7,8)(H,9,10)(H,11,12)/b3-1+
InChIKey :GTZCVFVGUGFEME-HNQUOIGGBQ
SMILES :C(/C(=C\C(=O)O)/C(=O)O)C(=O)O
cas number :4023-65-8
(EINECS) number :223-688-6
beilstein number :1725830
fema number :2010
coe number :33
molar refractivity :34.44 ± 0.3 cm3
parachor :319.6 ± 4.0 cm3
index of refraction :1.570 ± 0.02
surface tension :86.3 ± 3.0 dyne/cm
density :1.660 ± 0.06 g/cm3
polarizability :13.65 ± 0.5 10-24cm3
XlogP : -1.10
XlogP3-AA : -1.00
molecular weight : 174.1082400 (IUPAC)
formula :C6 H6 O6
BioActivity Analysis :98261
NMR Predictor :Predict
 
 
export tariff code :2922.42.0000
fda reg :unspecified
Suppliers :
Nanjing :trans-Aconitic acid
Sigma-Aldrich-SAFC :Aconitic acid
≥98%, FCC
TCI AMERICA :trans-Aconitic Acid
>98.0%(GC)(T)
organoleptics :
odor type :vegetable
odor strength :medium
odor description :
at 100.00 %.  		vegetable musty nut dry toasted
properties :
appearence :yellow crystals
assay : 98.00 to 100.00 %   
Food Chemicals Codex Listed :Yes
melting point : 194.00 to 195.00 °C. @ 760.00 mm Hg
flash point :not determined
logP (o/w) : -0.14
safety :
most important hazard(s) :Xi - Irritant
  R 36/37/38 - Irritating to eyes, respiratory system, and skin.
S 02 - Keep out of the reach of children.
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 :
 
recommendation for (E)-aconitic acid usage levels up to :
 not for fragrance use.
recommendation for (E)-aconitic acid usage levels up to :
  30.0000 ppm in the flavor.
safety references :
EPI System :view
Env. Mutagen Info. Center :Search
EPA Chem. Sub. Inventory : Yes
 
WGK Germany :3
 
 
 
 (E)-prop-1-ene-1,2,3-tricarboxylic acid
(EINECS) number :223-688-6
chemidplus :004023658
EPA Substance Registry Services :4023-65-8
dtp/nci :43980
references :
 (E)-prop-1-ene-1,2,3-tricarboxylic acid
NIST Chemistry WebBook :4023658
pubchem :654699
other :
VCF-Online: VCF Volatile Compounds in Food
synonyms :
trans-aconitate
trans-aconitic acid
(E)-2-carboxyglutaconic acid
(E)-prop-1-ene-1,2,3-tricarboxylic acid
(E)-1,2,3-propene tricarboxylic acid
(E)-1-propene-1,2,3-tricarboxylic acid
(E)-1-propene-1,trans-2,3-tricarboxylic acid
soluble in :
 alcohol
 ether, slightly soluble in ether
 water
insoluble in :
 paraffin oil
(odor and/or flavor) used in :
 caramel
 meat
 nut
 nut cashew
natural occurrence in :
acronitum napellus leaves
beet root
pelargonium species
sugar cane



information only - not sold by The Good Scents Company.


Please share your Information / Comments.

Your email Address:


Top of Page          The Good Scents Company Home
Copyright © 1980-2009 The Good Scents Company Disclaimer Privacy Policy
Html Last modified 11/15/2009