Propylcyclohexanecarboxylic acid - CAS 38289-27-9
Catalog: |
BB053712 |
Product Name: |
Propylcyclohexanecarboxylic acid |
CAS: |
38289-27-9 |
Synonyms: |
4-PROPYL-CYCLOHEXANECARBOXYLIC ACID; PROPYL CYCLOHEXYL CARBOXYLIC ACID; TRANS-4-PROPYLCYCLOHEXANECARBOXYLIC ACID; TRANS-4-N-PROPYLCYCLOHEXANECARBOXYLIC ACID; propylcyclohexanecarboxylicacid; Trans-4-PropylcyclohexaneCarboxylicAcid,3HaC10H18O2 |
IUPAC Name: | 4-propylcyclohexane-1-carboxylic acid |
Molecular Weight: | 170.25 |
Molecular Formula: | C10H18O2 |
Canonical SMILES: | CCCC1CCC(CC1)C(=O)O |
InChI: | InChI=1S/C10H18O2/c1-2-3-8-4-6-9(7-5-8)10(11)12/h8-9H,2-7H2,1H3,(H,11,12) |
InChI Key: | QCNUKEGGHOLBES-UHFFFAOYSA-N |
Boiling Point: | 270.3±8.0 °C at 760 mmHg |
Melting Point: | 93°C |
Purity: | >98% by GC |
Density: | 1.0±0.1 g/cm3 |
Appearance: | White Powder |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] |
Precautionary Statement: | P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 |
Signal Word: | Warning |
Complexity: | 146 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 170.130679813 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 170.130679813 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 37.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.2 |
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Related Functional Groups
Carbonyl Compounds
Cyclohexane
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