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Homosalate

CAT: 0286-04VXPP-02Size: 100 gDry Ice: NoHazardous: No
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CAT#:0286-04VXPP-02Size:100 g
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CAS Number
118-56-9
Synonyms
Homomenthyl Salicylate,3,5-Trimethylcyclohexyl Salicylatesalicylateacid, 3,3,5-trimethylcyclohexyl esteracid, m-homomenthyl ester
Pictogram
07 - Irritant
UDF Signal Word
Warning
MDL Number
MFCD00019377
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.
ITAR USML
N
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

Homosalate

2-hydroxybenzoic acid (3,3,5-trimethylcyclohexyl) ester is a member of phenols and a benzoate ester. It is functionally related to a salicylic acid.

CAS Number118-56-9
PubChem CID8362
IUPAC Name(3,3,5-trimethylcyclohexyl) 2-hydroxybenzoate
Molecular FormulaC16H22O3
Molecular Weight262.34
XLogP5
Topological Polar Surface Area46.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count19
Formal Charge0
Complexity324
SMILES
CC1CC(CC(C1)(C)C)OC(=O)C2=CC=CC=C2O
InChI
InChI=1S/C16H22O3/c1-11-8-12(10-16(2,3)9-11)19-15(18)13-6-4-5-7-14(13)17/h4-7,11-12,17H,8-10H2,1-3H3
InChIKey
WSSJONWNBBTCMG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Homosalate
CAS: 118-56-9
CID: 8362
Formula: C16H22O3
MW: 262.34
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight262.34
XLogP35
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass262.15689456
Monoisotopic Mass262.15689456
Topological Polar Surface Area46.5 Ų
Heavy Atom Count19
Formal Charge0
Complexity324
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
584780Homosalate
451969-01Homosalate-d4
A22302-1000Homosalate 1g
A22302-50Homosalate 50mg
AR-H01143-01Cis-Homosalate
A22302-10000Homosalate 10g
A22302-5000Homosalate 5g
A22302-500Homosalate 500mg
A22302-100Homosalate 100mg

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