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94-53-1

94-53-1 structure
94-53-1 structure

Name Piperonylic acid
Synonyms 5-benzodioxolecarboxylicacid
3,4-(Methylenedioxy)benzoic acid
Piperonylic acid
RARECHEM AL BO 0210
Heliotropic acid
PIPEROYLICACID
heliotropicacid
3,4-methylenedioxybenzoic acid
T56 BO DO CHJ GVQ
Benzoic acid, 3,4-(methylenedioxy)-
3,4-methylene dioxybenzoic acid
3,4-methylenedioxybenzenecarboxylic acid
1,3-Benzodioxole-5-carboxylic acid
EINECS 202-342-8
MFCD00005830
Description Piperonylic acid is a natural molecule bearing a methylenedioxy function that closely mimics the structure of trans-cinnamic acid. Piperonylic Acid is a selective, mechanism-based inactivator of the trans-cinnamate 4-Hydroxylase[1].
Related Catalog
References

[1]. Schalk M, et al, Werck-Reichhart D. Piperonylic acid, a selective, mechanism-based inactivator of the trans-cinnamate 4-hydroxylase: A new tool to control the flux of metabolites in the phenylpropanoid pathway. Plant Physiol. 1998;118(1):209‐218.

Density 1.5±0.1 g/cm3
Boiling Point 324.6±31.0 °C at 760 mmHg
Melting Point 229-231 °C(lit.)
Molecular Formula C8H6O4
Molecular Weight 166.131
Flash Point 139.6±18.3 °C
Exact Mass 166.026611
PSA 55.76000
LogP 1.31
Vapour Pressure 0.0±0.7 mmHg at 25°C
Index of Refraction 1.612
Water Solubility slightly soluble

CHEMICAL IDENTIFICATION

RTECS NUMBER :
DF4912765
CHEMICAL NAME :
1,3-Benzodioxole-5-carboxylic acid
CAS REGISTRY NUMBER :
94-53-1
LAST UPDATED :
199701
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C8-H6-O4
MOLECULAR WEIGHT :
166.14

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
>800 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 196,478,1976
Symbol GHS05 GHS07
GHS05, GHS07
Signal Word Danger
Hazard Statements H302-H315-H318-H335
Precautionary Statements P261-P280-P305 + P351 + P338
Personal Protective Equipment dust mask type N95 (US);Eyeshields;Gloves
Hazard Codes Xn:Harmful;
Risk Phrases R22;R37/38;R41
Safety Phrases S26-S36/37/39
RIDADR NONH for all modes of transport
WGK Germany 3
RTECS DF4912765
HS Code 29329970
HS Code 2932999099
Summary 2932999099. other heterocyclic compounds with oxygen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%