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

Technical Data

Safety and Hazards

Computed Properties

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

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Related Functional Groups

Carbonyl Compounds

[5650-34-0]
Oxiran-2-yl(phenyl)methanone
[87-88-7]
Chloranilic acid
[1383427-98-2]
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[70199-62-1]
(4-Pyridyl)acetone Hydrochloride
[55441-25-3]
1-(2-Cyanophenyl)urea
[1431966-64-1]
1-{2-[(3-Methoxypropyl)amino]-4-methyl-1,3-thiazol-5-yl}ethanone hydrochloride

Cyclohexane

[84868-02-0]
4-Pentyldicyclohexylanone
[1228360-12-0]
ethyl (1S,3R,4S)-rel-3-fluoro-4-hydroxycyclohexane-1-carboxylate
[3886-90-6]
N,N-dimethyloctadecanamide
[1820583-20-7]
methyl (1R,3S)-3-((tert-butoxycarbonyl)amino)cyclohexane-1-carboxylate
[1184838-47-8]
(2,2-Difluoroethyl)cyclohexylamine
[1431964-29-2]
2-[(4-Tert-butylcyclohexyl)amino]butan-1-ol oxalic acid

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