Benzylmalonic acid Structure

Benzylmalonic acid

Chemical Properties

Melting point 117-120 °C (lit.)
Boiling point 290.62°C (rough estimate)
Density  1.2534 (rough estimate)
refractive index  1.5430 (estimate)
storage temp.  Refrigerator
solubility  Chloroform, DMSO, Ethyl Acetate, Methanol
form  Solid
pka 3.18±0.10(Predicted)
color  Pale Yellow
BRN  643530
InChI InChI=1S/C10H10O4/c11-9(12)8(10(13)14)6-7-4-2-1-3-5-7/h1-5,8H,6H2,(H,11,12)(H,13,14)
InChIKey JAEJSNFTJMYIEF-UHFFFAOYSA-N
SMILES C(O)(=O)C(CC1=CC=CC=C1)C(O)=O
CAS DataBase Reference 616-75-1(CAS DataBase Reference)
EWG's Food Scores 1
FDA UNII 9BJY4TT4MH
NIST Chemistry Reference Benzylmalonic acid(616-75-1)
UNSPSC Code 12162002
NACRES NA.23
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Safety

Symbol(GHS) Exclamation Mark (GHS07)
Signal wordWarning
Hazard statements H315-H319-H335
Precautionary statements P261-P305+P351+P338
Hazard Codes  Xi
Risk Statements  36/37/38
Safety Statements  26-36
WGK Germany  3
RTECS  OO0525000
HS Code  29173990
Storage Class 11 - Combustible Solids
Hazard Classifications Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
NFPA 704:
0
2 0

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