trans-4-Methyl-1-cyclohexanecarboxylic acid - CAS 13064-83-0
Catalog: |
BB007144 |
Product Name: |
trans-4-Methyl-1-cyclohexanecarboxylic acid |
CAS: |
13064-83-0 |
Synonyms: |
4-methylcyclohexane-1-carboxylic acid |
IUPAC Name: | 4-methylcyclohexane-1-carboxylic acid |
Description: | trans-4-Methyl-1-cyclohexanecarboxylic acid (CAS# 13064-83-0) is a useful research chemical. |
Molecular Weight: | 142.20 |
Molecular Formula: | C8H14O2 |
Canonical SMILES: | CC1CCC(CC1)C(=O)O |
InChI: | InChI=1S/C8H14O2/c1-6-2-4-7(5-3-6)8(9)10/h6-7H,2-5H2,1H3,(H,9,10) |
InChI Key: | QTDXSEZXAPHVBI-UHFFFAOYSA-N |
Boiling Point: | 247.5 °C at 760 mmHg |
Melting Point: | 109-111 °C |
Purity: | > 98.0 % (GC) (T) |
Density: | 1.025 g/cm3 |
Storage: | Sealed in dry. Room temperature. |
MDL: | MFCD00074943 |
LogP: | 1.89730 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-113248689-A | Multifunctional amide mixture, preparation method thereof and prepreg | 20210623 |
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PMID | Publication Date | Title | Journal |
22154122 | 20120130 | Batch and continuous biodegradation of three model naphthenic acids in a circulating packed-bed bioreactor | Journal of hazardous materials |
18633718 | 20090201 | Biodegradation kinetics of trans-4-methyl-1-cyclohexane carboxylic acid | Biodegradation |
Complexity: | 123 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 142.099379685 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 142.099379685 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 37.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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