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Hydrocinnamic acid 99%

CAT: 0286-H08535-03Size: 500 gDry Ice: NoHazardous: No
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CAT#:0286-H08535-03Size:500 g
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CAS Number
501-52-0
Synonyms
Benzylacetic acid; 3-Phenylpropionic acid
Pictogram
07 - Irritant
UDF Signal Word
Warning
MDL Number
MFCD00002771
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

Benzenepropanoic acid

3-phenylpropionic acid is a monocarboxylic acid that is propionic acid substituted at position 3 by a phenyl group. It has a role as an antifungal agent, a plant metabolite and a human metabolite. It is a member of benzenes and a monocarboxylic acid. It is functionally related to a propionic acid. It is a conjugate acid of a 3-phenylpropionate.

CAS Number501-52-0
PubChem CID107
IUPAC Name3-phenylpropanoic acid
Molecular FormulaC9H10O2
Molecular Weight150.17
XLogP1.8
Topological Polar Surface Area37.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count11
Formal Charge0
Complexity126
SMILES
C1=CC=C(C=C1)CCC(=O)O
InChI
InChI=1S/C9H10O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,10,11)
InChIKey
XMIIGOLPHOKFCH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Benzenepropanoic acid
CAS: 501-52-0
CID: 107
Formula: C9H10O2
MW: 150.17
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight150.17
XLogP31.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass150.068079557
Monoisotopic Mass150.068079557
Topological Polar Surface Area37.3 Ų
Heavy Atom Count11
Formal Charge0
Complexity126
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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HY-Y1088S3-01Hydrocinnamic acid-d5
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HY-Y1088S2-01Hydrocinnamic acid-d9
H714596Hydrocinnamic-α,α-d2 Acid
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