Basic information Safety Supplier Related

CHORISMIC ACID

Basic information Safety Supplier Related

CHORISMIC ACID Basic information

Product Name:
CHORISMIC ACID
Synonyms:
  • CHORISMIC ACID
  • TRANS-3-[(1-CARBOXYETHENYL)OXY]-4-HYDROXY-1,5-CYCLOHEXADIENE-1-CARBOXYLIC ACID
  • (-)-Chorismate
  • (3R)-3β-(1-Carboxyethenyloxy)-4α-hydroxy-1,5-cyclohexadiene-1-carboxylic acid
  • CHORISMIC ACID FREE ACID FROM &
  • chorismic acid from enterobacter aerogenes
  • (3R,4R)-3-[(1-Carboxyethenyl)oxy]-4-hydroxy-1,5-cyclohexadiene-1-carboxylic acid
  • 2-[(3-Carboxy-6β-hydroxy-2,4-cyclohexadiene-1α-yl)oxy]acrylic acid
CAS:
617-12-9
MF:
C10H10O6
MW:
226.18
Mol File:
617-12-9.mol
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CHORISMIC ACID Chemical Properties

Melting point:
105-108° (dec)
alpha 
D21 -274° (c = 0.16 in water)
Boiling point:
556.1±50.0 °C(Predicted)
Density 
1.49±0.1 g/cm3(Predicted)
storage temp. 
-20°C
pka
3.59±0.11(Predicted)
form 
powder
InChI
1S/C10H10O6/c1-5(9(12)13)16-8-4-6(10(14)15)2-3-7(8)11/h2-4,7-8,11H,1H2,(H,12,13)(H,14,15)/t7-,8-/m1/s1
InChIKey
WTFXTQVDAKGDEY-HTQZYQBOSA-N
SMILES
O[C@@H]1C=CC(=C[C@H]1OC(=C)C(O)=O)C(O)=O
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Safety Information

Hazard Codes 
T
Risk Statements 
45-20/21/22-36/37/38-63
Safety Statements 
53-23-36/37/39-45
WGK Germany 
3
Storage Class
6.1C - Combustible acute toxic Cat.3
toxic compounds or compounds which causing chronic effects
Hazard Classifications
Acute Tox. 4 Dermal
Acute Tox. 4 Inhalation
Acute Tox. 4 Oral
Carc. 1B
Eye Irrit. 2
Repr. 2
Skin Irrit. 2
STOT SE 3

MSDS

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CHORISMIC ACID Usage And Synthesis

Uses

Chorismic acid is a metabolite generally used in the study of chorismate-prephenate rearrangement and to synthesize chorismate derivatives.

Definition

ChEBI: The (3R,4R)-stereoisomer of 5-[(1-carboxyethenyl)oxy]-6-hydroxycyclohexa-1,3-diene-1-carboxylic acid.

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