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Methyl 2-hydroxy-3-methylbenzoate 95%

CAT: 0286-M20320-01Size: 1 gDry Ice: NoHazardous: No
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CAS Number
23287-26-5
Synonyms
Methyl 3-methylsalicylate, Methyl o-cresotinate
Pictogram
07 - Irritant
UDF Signal Word
Warning
MDL Number
MFCD00020051
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

Benzoic acid, 2-hydroxy-3-methyl-, methyl ester
CAS Number23287-26-5
PubChem CID31835
IUPAC Namemethyl 2-hydroxy-3-methylbenzoate
Molecular FormulaC9H10O3
Molecular Weight166.17
XLogP3.2
Topological Polar Surface Area46.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count12
Formal Charge0
Complexity167
SMILES
CC1=C(C(=CC=C1)C(=O)OC)O
InChI
InChI=1S/C9H10O3/c1-6-4-3-5-7(8(6)10)9(11)12-2/h3-5,10H,1-2H3
InChIKey
SUHLUMKZPUMAFP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Benzoic acid, 2-hydroxy-3-methyl-, methyl ester
CAS: 23287-26-5
CID: 31835
Formula: C9H10O3
MW: 166.17
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight166.17
XLogP33.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass166.062994177
Monoisotopic Mass166.062994177
Topological Polar Surface Area46.5 Ų
Heavy Atom Count12
Formal Charge0
Complexity167
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

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Alternative Products

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sc-357385Methyl 3-hydroxy-2-methylbenzoate
TRC-B585335-5GMethyl 2-Hydroxy-3-methylbenzoate
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455727-01Methyl 5-hydroxy-3-methylbenzoate
OR911863-01Methyl 4-hydroxy-3-methylbenzoate
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OR40507Methyl 2-hydroxy-4-methylbenzoate
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