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Butyl salicylate

CAT: 0286-B30720Size: 100 gDry Ice: NoHazardous: No
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CAT#:0286-B30720Size:100 g
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CAS Number
2052-14-4
Pictogram
07 - Irritant
UDF Signal Word
Warning
MDL Number
MFCD00020038
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

Butyl salicylate

Butyl salicylate is a member of phenols and a benzoate ester. It is functionally related to a salicylic acid.

CAS Number2052-14-4
PubChem CID16330
IUPAC Namebutyl 2-hydroxybenzoate
Molecular FormulaC11H14O3
Molecular Weight194.23
XLogP4.6
Topological Polar Surface Area46.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Heavy Atom Count14
Formal Charge0
Complexity179
SMILES
CCCCOC(=O)C1=CC=CC=C1O
InChI
InChI=1S/C11H14O3/c1-2-3-8-14-11(13)9-6-4-5-7-10(9)12/h4-7,12H,2-3,8H2,1H3
InChIKey
YFDUWSBGVPBWKF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Butyl salicylate
CAS: 2052-14-4
CID: 16330
Formula: C11H14O3
MW: 194.23
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight194.23
XLogP34.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Exact Mass194.094294304
Monoisotopic Mass194.094294304
Topological Polar Surface Area46.5 Ų
Heavy Atom Count14
Formal Charge0
Complexity179
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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