Products for Research Use Only
RegisterLogin

B-Phenylpropyl isobutyrate

CAT: 0286-P15210-01Size: 25 gDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0286-P15210-01Size:25 g
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
65813-53-8
Synonyms
Hydratropyl isobutyrate
Pictogram
07 - Irritant
UDF Signal Word
Warning
MDL Number
MFCD00008915
Hazard Statement
H303 May be harmful if swallowed; H315 Causes skin irritation; H320 Causes eye irritation; H333 May be 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-Phenylpropyl isobutyrate
CAS Number65813-53-8
PubChem CID576240
IUPAC Name2-phenylpropyl 2-methylpropanoate
Molecular FormulaC13H18O2
Molecular Weight206.28
XLogP3.4
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count5
Heavy Atom Count15
Formal Charge0
Complexity193
SMILES
CC(C)C(=O)OCC(C)C1=CC=CC=C1
InChI
InChI=1S/C13H18O2/c1-10(2)13(14)15-9-11(3)12-7-5-4-6-8-12/h4-8,10-11H,9H2,1-3H3
InChIKey
LZTCJUAHYXNKRE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Phenylpropyl isobutyrate
CAS: 65813-53-8
CID: 576240
Formula: C13H18O2
MW: 206.28
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight206.28
XLogP33.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count5
Exact Mass206.130679813
Monoisotopic Mass206.130679813
Topological Polar Surface Area26.3 Ų
Heavy Atom Count15
Formal Charge0
Complexity193
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
P11920B-Phenylethyl isobutyrate
P15170-01B-Phenylpropyl cinnamate
P15260-01B-Phenylpropyl Propionate
S05820Sodium isobutyrate
M21070-01Methyl isobutyrate
O02010Octyl Isobutyrate
T01335Terpinyl isobutyrate
E11660-01Ethyl isobutyrate
N04400Neryl Isobutyrate
B07880Benzyl Isobutyrate

Alternative Products

CatalogName
287690-013-Phenylpropyl isobutyrate
TRC-D455496-100MG2-(3-(Diisopropylamino)-1-phenylpropyl)-4-formylphenyl Isobutyrate
463704(R) -2- (3- (Diisopropylamino) -1-phenylpropyl) -4-methylphenyl Isobutyrate Hydrogen Fumarate
TRC-D525423-10MG(R)-2-(3-(Diisopropylamino)-1-phenylpropyl)-4-methylphenyl Isobutyrate Hydrogen Fumarate
TRC-D253990-100MG2-(3-(Diisopropylamino)-1-phenylpropyl)-4-((isobutyryloxy)methyl)phenyl Isobutyrate Fumarate
TRC-H384590-100MG(R)-4-(Hydroxymethyl)-2-(3-(isopropyl(nitroso)amino)-1-phenylpropyl)phenyl Isobutyrate
TRC-H384591-25MG(R)-4-(Hydroxymethyl)-2-(3-(nitroso(propan-2-yl-D₇)amino)-1-phenylpropyl)phenyl Isobutyrate
OR1065236-01(3S,3aR,4S,4aR,7aR,8R,9aR) -3,4a,8-Trimethyl-2,5-dioxo-2,3,3a,4,4a,5,7a,8,9,9a-decahydroazuleno[6,5-b]furan-4-yl isobutyrate
FE139442-01Ethyl isobutyrate
T203956-01Butyl Isobutyrate

Popular Products