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Cyclohexanebutyric acid 96%

CAT: 0286-C30140-01Size: 25 gDry Ice: NoHazardous: No
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CAT#:0286-C30140-01Size:25 g
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CAS Number
4441-63-8
Pictogram
07 - Irritant
UDF Signal Word
Warning
MDL Number
MFCD00001529
Hazard Statement
H302 Harmful if swallowed; H312 Harmful in contact with skin; H315 Causes skin irritation; H319 Causes serious eye irritation; H332 Harmful if inhaled; H335 May cause respiratory irritation.
DOT Name
Not D.O.T.-Regulated
Precautions
P261 Avoid breathing dust/fume/gas/mist/vapors/spray; P280 Wear protective gloves/protective clothing/eye protection/face protection; P301+P312 IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell; P302+P352 IF ON SKIN: wash with plenty of soap and water; P304+P340 IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing; P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing; P332+P313 IF SKIN irritation occurs: Get medical advice/attention.

Chemical Information

Cyclohexanebutanoic acid

RN given refers to parent cpd

CAS Number4441-63-8
PubChem CID75200
IUPAC Name4-cyclohexylbutanoic acid
Molecular FormulaC10H18O2
Molecular Weight170.25
XLogP3.4
Topological Polar Surface Area37.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Heavy Atom Count12
Formal Charge0
Complexity137
SMILES
C1CCC(CC1)CCCC(=O)O
InChI
InChI=1S/C10H18O2/c11-10(12)8-4-7-9-5-2-1-3-6-9/h9H,1-8H2,(H,11,12)
InChIKey
UVZMNGNFERVGRC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Cyclohexanebutanoic acid
CAS: 4441-63-8
CID: 75200
Formula: C10H18O2
MW: 170.25
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight170.25
XLogP33.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Exact Mass170.130679813
Monoisotopic Mass170.130679813
Topological Polar Surface Area37.3 Ų
Heavy Atom Count12
Formal Charge0
Complexity137
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes