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L-Menthoxyacetic acid 98%

CAT: 0286-M03160-01Size: 1 gDry Ice: NoHazardous: No
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CAS Number
40248-63-3
Pictogram
07 - Irritant
UDF Signal Word
Warning
MDL Number
MFCD00001483
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.
DOT Name
Not D.O.T.-Regulated
Precautions
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

2-((5-Methyl-2-(1-methylethyl)cyclohexyl)oxy)acetic acid
CAS Number40248-63-3
PubChem CID97814
IUPAC Name2-(5-methyl-2-propan-2-ylcyclohexyl)oxyacetic acid
Molecular FormulaC12H22O3
Molecular Weight214.30
XLogP3.2
Topological Polar Surface Area46.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count15
Formal Charge0
Complexity213
SMILES
CC1CCC(C(C1)OCC(=O)O)C(C)C
InChI
InChI=1S/C12H22O3/c1-8(2)10-5-4-9(3)6-11(10)15-7-12(13)14/h8-11H,4-7H2,1-3H3,(H,13,14)
InChIKey
CILPHQCEVYJUDN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-((5-Methyl-2-(1-methylethyl)cyclohexyl)oxy)acetic acid
CAS: 40248-63-3
CID: 97814
Formula: C12H22O3
MW: 214.30
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight214.30
XLogP33.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass214.15689456
Monoisotopic Mass214.15689456
Topological Polar Surface Area46.5 Ų
Heavy Atom Count15
Formal Charge0
Complexity213
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count3
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes