98-89-5
Product Name:
Cyclohexanecarboxylic acid
Formula:
C7H12O2
Synonyms:
Hexahydrobenzoic acid
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
Physical Description | Odorless solid or liquid with a valerian odor; mp = 29 deg C; [Merck Index] White crystalline solid; mp = 29-31 deg C; [Sigma-Aldrich MSDS] |
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Boiling Point | 232.00 to 233.00 °C. @ 760.00 mm Hg |
Melting Point | 31 - 32 °C |
Solubility | 4.6 mg/mL at 25 °C |
Density | 1.029-1.037 |
Vapor Pressure | 0.03 [mmHg] |
LogP | 1.96 |
Refractive Index | 1.516-1.520 |
Kovats Retention Index | 1157 1127 1114.6 1124.4 |
Chemical Classes | Other Classes -> Benzoic Acid Derivatives |
SAFETY INFORMATION
Signal word | Danger |
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Pictogram(s) |
Corrosion Corrosives GHS05 Exclamation Mark Irritant GHS07 |
GHS Hazard Statements |
H315:Skin corrosion/irritation H318:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation |
Precautionary Statement Codes |
P280:Wear protective gloves/protective clothing/eye protection/face protection. P302+P352:IF ON SKIN: wash with plenty of soap and water. |
COMPUTED DESCRIPTORS
Molecular Weight | 128.17 g/mol |
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XLogP3 | 1.9 |
Hydrogen Bond Donor Count | 1 |
Hydrogen Bond Acceptor Count | 2 |
Rotatable Bond Count | 1 |
Exact Mass | 128.083729621 g/mol |
Monoisotopic Mass | 128.083729621 g/mol |
Topological Polar Surface Area | 37.3 Ų |
Heavy Atom Count | 9 |
Formal Charge | 0 |
Complexity | 104 |
Isotope Atom Count | 0 |
Defined Atom Stereocenter Count | 0 |
Undefined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 0 |
Undefined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Cyclohexanecarboxylic acid is a monocarboxylic acid that consists of cyclohexane substituted by a carboxy group. It is a conjugate acid of a cyclohexanecarboxylate.