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B-Phenylethyl anthranilate

CAT: 0286-P11620-02Size: 5 gDry Ice: NoHazardous: Yes
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CAT#:0286-P11620-02Size:5 g
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CAS Number
133-18-6
Synonyms
Benzyl carbinyl anthranilate; Phenethyl anthranilate
UN Code
UN3077
Pictogram
07 - Irritant; 09 - Environmental hazard
UDF Signal Word
Warning
MDL Number
MFCD00025190
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; H410 Very toxic to aquatic life with long-lasting effects.
DOT Name
Environmentally Hazardous Substance, Solid, N.O.S.
DOT Classification
Class 9
Packaging Group
PGIII
Precautions
P261 Avoid breathing dust/fume/gas/mist/vapors/spray; P273 Avoid release to the environment; 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; P391 Collect spillage. Hazardous to the aquatic environment.

Chemical Information

Phenethyl anthranilate

2-Phenylethyl 2-aminobenzoate is a benzoate ester.

CAS Number133-18-6
PubChem CID8615
IUPAC Name2-phenylethyl 2-aminobenzoate
Molecular FormulaC15H15NO2
Molecular Weight241.28
XLogP4.2
Topological Polar Surface Area52.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Heavy Atom Count18
Formal Charge0
Complexity261
SMILES
C1=CC=C(C=C1)CCOC(=O)C2=CC=CC=C2N
InChI
InChI=1S/C15H15NO2/c16-14-9-5-4-8-13(14)15(17)18-11-10-12-6-2-1-3-7-12/h1-9H,10-11,16H2
InChIKey
PXWNBAGCFUDYBE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Phenethyl anthranilate
CAS: 133-18-6
CID: 8615
Formula: C15H15NO2
MW: 241.28
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight241.28
XLogP34.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Exact Mass241.110278721
Monoisotopic Mass241.110278721
Topological Polar Surface Area52.3 Ų
Heavy Atom Count18
Formal Charge0
Complexity261
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