3-(3,4-Methylenedioxyphenyl)propionic acid

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Names

[ CAS No. ]:
2815-95-4

[ Name ]:
3-(3,4-Methylenedioxyphenyl)propionic acid

[Synonym ]:
1,3-Benzodioxole-5-propanoic acid
MFCD00016909
3-(3,4-METHYLENEDIOXYPHENYL)PROPIONIC ACID
EINECS 220-565-9
Benzo-1,3-dioxole-5-propionic acid

Chemical & Physical Properties

[ Density]:
1.343 g/cm3

[ Boiling Point ]:
349ºC at 760 mmHg

[ Melting Point ]:
86-88°C

[ Molecular Formula ]:
C10H10O4

[ Molecular Weight ]:
194.18400

[ Flash Point ]:
141.8ºC

[ Exact Mass ]:
194.05800

[ PSA ]:
55.76000

[ LogP ]:
1.43250

[ Vapour Pressure ]:
1.81E-05mmHg at 25°C

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
MW5600000
CHEMICAL NAME :
Hydrocinnamic acid, 3,4-(methylenedioxy)-
CAS REGISTRY NUMBER :
2815-95-4
BEILSTEIN REFERENCE NO. :
0181735
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C10-H10-O4
MOLECULAR WEIGHT :
194.20
WISWESSER LINE NOTATION :
T56 BO DO CHJ G2VQ

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
500 mg/kg
TOXIC EFFECTS :
Sense Organs and Special Senses (Olfaction) - effect, not otherwise specified Behavioral - altered sleep time (including change in righting reflex) Lungs, Thorax, or Respiration - dyspnea
REFERENCE :
CBCCT* "Summary Tables of Biological Tests," National Research Council Chemical-Biological Coordination Center. (National Academy of Science Library, 2101 Constitution Ave., NW, Washington, DC 20418) Volume(issue)/page/year: 7,393,1955

Safety Information

[ Symbol ]:

GHS07

[ Signal Word ]:
Warning

[ Hazard Statements ]:
H302-H315-H319-H335

[ Precautionary Statements ]:
P261-P305 + P351 + P338

[ Personal Protective Equipment ]:
dust mask type N95 (US);Eyeshields;Gloves

[ Hazard Codes ]:
Xn

[ Risk Phrases ]:
R36/37/38

[ Safety Phrases ]:
S26-S36/37/39

[ RIDADR ]:
NONH for all modes of transport

[ RTECS ]:
MW5600000

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • (2E)-3-(1,3-Benzodioxol-5-yl)acrylic acid
  • (Z)-2-acetoxy-3-(3,4-methylenedioxyphenyl)acrylic acid
  • 1,3-Benzodioxole-5-propanoic acid, ethyl ester
  • 3-BENZO[1,3]DIOXOL-5-YL-PROPAN-1-OL
  • Safrole
  • piperonal
  • 2-Propenoic acid, 2-(acetylamino)-3-(1,3-benzodioxol-5-yl)- (en)
  • 4-nitrosotoluene

DownStream

  • 3-(1,3-benzodioxol-5-yl)propanamide
  • (2E)-3-(1,3-Benzodioxol-5-yl)acrylic acid
  • 5,6-Methylenedioxy-1-indanone
  • MDAI
  • 3-(1,3-benzodioxol-5-yl)-N-methylpropan-1-amine
  • 3-BENZO[1,3]DIOXOL-5-YL-PROPIONALDEHYDE
  • Methylenedioxyphenethylamine
  • (4R)-4-(1,3-benzodioxol-5-ylmethyl)oxolan-2-one
  • 1,3-Dioxolo[4,5-g]isoquinolin-5(6H)-one,7,8-dihydro-
  • 6-(carboxymethyl)-1,3-benzodioxole-5-carboxylic acid

Related Compounds

  • 3-(3,4-methylenedioxyphenyl)propionic acid hydrazide
  • (r)-n-(tert-butoxycarbonyl)-3-amino-3-(3,4-methylenedioxyphenyl)propionic acid
  • 3-(6-hydroxymethyl-3,4-methylenedioxyphenyl)propionic acid
  • (S)-3-AMINO-3-(3,4-METHYLENEDIOXYPHENYL)PROPIONICACID
  • 2-Amino-3-(1,3-benzodioxol-5-yl)-3-hydroxypropionic acid
  • 3-(benzo[d][1,3]dioxol-5-yl)propionic acid methyl ester