trans-4-Pentylcyclohexanecarboxylic acid - CAS 38289-29-1
Catalog:
BB023613
Product Name:
trans-4-Pentylcyclohexanecarboxylic acid
CAS:
38289-29-1
Synonyms:
4-Pentylcyclohexanecarboxylic acid
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BB023613
500 g
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IUPAC Name: 4-pentylcyclohexane-1-carboxylic acid
Description: trans-4-Pentylcyclohexanecarboxylic acid is a useful research chemical.
Molecular Weight: 198.30
Molecular Formula: C12H22O2
Canonical SMILES: CCCCCC1CCC(CC1)C(=O)O
InChI: InChI=1S/C12H22O2/c1-2-3-4-5-10-6-8-11(9-7-10)12(13)14/h10-11H,2-9H2,1H3,(H,13,14)
InChI Key: RVLAXPQGTRTHEV-UHFFFAOYSA-N
Boiling Point: 304.6 ℃ at 760 mmHg
Melting Point: 52-56 ℃
Purity: 95 %
Density: 0.963 g/cm3
Appearance: White fine crystalline powder
Storage: Sealed in dry. Room temperature.
MDL: MFCD00009964
LogP: 3.45770
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
JP-2021109943-A Hot melt adhesive composition 20200115
US-2021169804-A1 Nanomaterials 20191206
WO-2021113365-A1 Nanomaterials 20191206
JP-2021024993-A Hot melt adhesive composition 20190808
TW-202102233-A Compounds useful in hiv therapy 20190306
Complexity: 169
Compound Is Canonicalized: Yes
Covalently-Bonded Unit Count: 1
Defined Atom Stereocenter Count: 0
Defined Bond Stereocenter Count: 0
Exact Mass: 198.161979940
Formal Charge: 0
Heavy Atom Count: 14
Hydrogen Bond Acceptor Count: 2
Hydrogen Bond Donor Count: 1
Isotope Atom Count: 0
Monoisotopic Mass: 198.161979940
Rotatable Bond Count: 5
Topological Polar Surface Area: 37.3 Å2
Undefined Atom Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
XLogP3: 4.3
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