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Substance Name: Hydrocinnamic acid
RN: 501-52-0
UNII: 5Q445IN5CU
InChIKey: XMIIGOLPHOKFCH-UHFFFAOYSA-N
Classification Code
- Drug / Therapeutic Agent
Molecular Formula
- C9-H10-O2
Molecular Weight
- 150.176
- All
- Links to Resources
- Names & Synonyms
- Registry Numbers
- Structure Descriptors
- Toxicity
- Physical Properties
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Names and Synonyms
Name of Substance
- 3-Phenylpropionic acid
- Hydrocinnamic acid
Synonyms
- 3-Phenylpropanoic acid
- 3-Phenylpropionic acid
- 4-09-00-01752 (Beilstein Handbook Reference)
- AI3-00892
- Benzenepropanoic acid
- Benzenepropionic acid
- Benzylacetic acid
- beta-Phenylpropionic acid
- BRN 0907515
- CCRIS 3199
- Dihydrocinnamic acid
- EINECS 207-924-5
- FEMA No. 2889
- Hydrocinnamic acid
- NSC 9272
- Phenylpropanoic acid
- UNII-5Q445IN5CU
Systematic Names
- 3-Phenylpropanoic acid
- 3-Phenylpropionic acid
- Benzenepropanoic acid
- Benzenepropionic acid
- Hydrocinnamic acid (8CI)
Superlist Name
- 3-Phenylpropionic acid
Registry Numbers
CAS Registry Number
- 501-52-0
FDA UNII
- 5Q445IN5CU
System Generated Number
- 0000501520
Structure Descriptors
InChI
1S/C9H10O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,10,11)InChIKey
XMIIGOLPHOKFCH-UHFFFAOYSA-NSmiles
c1(CCC(O)Toxicity
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intraperitoneal | 1202mg/kg (1202mg/kg) | Yakugaku Zasshi. Journal of Pharmacy. Vol. 104, Pg. 793, 1984. |
Physical Properties
| Physical Property | Value | Units | Temp (deg C) | Source |
|---|---|---|---|---|
| Melting Point | 107 | deg C | EXP | |
| Boiling Point | 279.8 | deg C | EXP | |
| pKa Dissociation Constant | 4.66 | (none) | 18 | EXP |
| log P (octanol-water) | 1.84 | (none) | EXP | |
| Water Solubility | 5900 | mg/L | 20 | EXP |
| Henry's Law Constant | 5.87E-08 | atm-m3/mole | 25 | EST |
| Atmospheric OH Rate Constant | 7.38E-12 | cm3/molecule-sec | 25 | EST |
Physical property data is provided to ChemIDplus by SRC, Inc.