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Substance Name: Cumic acid
RN: 536-66-3
UNII: 6LP0WTM1JB
InChIKey: CKMXAIVXVKGGFM-UHFFFAOYSA-N
Classification Code
- Drug / Therapeutic Agent
Molecular Formula
- C10-H12-O2
Molecular Weight
- 164.2028
- All
- Links to Resources
- Names & Synonyms
- Registry Numbers
- Structure Descriptors
- Toxicity
- Physical Properties
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Names and Synonyms
Name of Substance
- Cumic acid
Synonyms
- 4-(1-Methylethyl)benzoic acid
- 4-09-00-01843 (Beilstein Handbook Reference)
- 4-Isopropylbenzoic acid
- AI3-17970
- Benzoic acid, p-isopropyl-
- BRN 1907514
- Cumic acid
- Cuminic acid
- EINECS 208-642-5
- NSC 1907
- p-Isopropylbenzoic acid
- UNII-6LP0WTM1JB
Systematic Names
- 4-Isopropylbenzoic acid
- Benzoic acid, 4-(1-methylethyl)-
- Benzoic acid, p-isopropyl- (8CI)
Registry Numbers
CAS Registry Number
- 536-66-3
FDA UNII
- 6LP0WTM1JB
System Generated Number
- 0000536663
Structure Descriptors
InChI
InChI=1S/C10H12O2/c1-7(2)8-3-5-9(6-4-8)10(11)12/h3-7H,1-2H3,(H,11,12)InChIKey
CKMXAIVXVKGGFM-UHFFFAOYSA-NSmiles
CC(C)Toxicity
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD | intraperitoneal | > 500mg/kg (500mg/kg) | "Summary Tables of Biological Tests," National Research Council Chemical-Biological Coordination Center. Vol. 6, Pg. 215, 1954. |
Physical Properties
Physical Property | Value | Units | Temp (deg C) | Source |
---|---|---|---|---|
Melting Point | 117.5 | deg C | EXP | |
pKa Dissociation Constant | 4.35 | (none) | 25 | EXP |
log P (octanol-water) | 3.4 | (none) | EXP | |
Water Solubility | 151 | mg/L | 25 | EXP |
Vapor Pressure | 1.19E-03 | mm Hg | 25 | EST |
Henry's Law Constant | 2.11E-07 | atm-m3/mole | 25 | EST |
Atmospheric OH Rate Constant | 4.51E-12 | cm3/molecule-sec | 25 | EST |
Physical property data is provided to ChemIDplus by SRC, Inc.