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Prenyl isobutyrate 95%

CAT: 0286-P24664Size: 100 gDry Ice: NoHazardous: No
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CAT#:0286-P24664Size:100 g
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CAS Number
76649-23-5
Synonyms
Vertenol isobutyrate
Pictogram
07 - Irritant
UDF Signal Word
Warning
MDL Number
MFCD00036573
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

Prenyl isobutyrate

Prenyl isobutyrate is a carboxylic ester.

CAS Number76649-23-5
PubChem CID173535
IUPAC Name3-methylbut-2-enyl 2-methylpropanoate
Molecular FormulaC9H16O2
Molecular Weight156.22
XLogP2.7
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Heavy Atom Count11
Formal Charge0
Complexity153
SMILES
CC(C)C(=O)OCC=C(C)C
InChI
InChI=1S/C9H16O2/c1-7(2)5-6-11-9(10)8(3)4/h5,8H,6H2,1-4H3
InChIKey
YSJHMPXIMIOXGU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Prenyl isobutyrate
CAS: 76649-23-5
CID: 173535
Formula: C9H16O2
MW: 156.22
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight156.22
XLogP32.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Exact Mass156.115029749
Monoisotopic Mass156.115029749
Topological Polar Surface Area26.3 Ų
Heavy Atom Count11
Formal Charge0
Complexity153
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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