2-Phenylpropionic acid

IUPAC: 2-phenylpropanoic acid

CAS 492-37-5 C9H10O2

2-Phenylpropionic acid (CAS 492-37-5) is a chemical compound with molecular formula C9H10O2 and molecular weight 150.17 g/mol . GHS signal word: Warning. Hazard classifications: Health Hazard.

What is 2-Phenylpropionic acid?

Molecular Formula
C9H10O2
Molecular Weight
150.17 g/mol

Description

Hydratropic acid is a 2-arylpropionic acid carrying a phenyl group at position 2. It is a metabolite of alpha-methylstyrene (AMS), a volatile hydrocarbon. It has a role as a human xenobiotic metabolite. It is functionally related to a phenylacetic acid.

Structure Identifiers

SMILES
CC(C1=CC=CC=C1)C(=O)O
InChI
InChI=1S/C9H10O2/c1-7(9(10)11)8-5-3-2-4-6-8/h2-7H,1H3,(H,10,11)
InChIKey
YPGCWEMNNLXISK-UHFFFAOYSA-N

Properties

Computed

Calculated molecular descriptors used in drug design and computational chemistry.

Exact Mass
150.0681 Da
XLogP
1.90
TPSA
37.3 Ų
H-Bond Donors
1
H-Bond Acceptors
2
Complexity
136
Formal Charge
0

Safety information

Signal Word

Warning

GHS Pictograms

GHS pictogram: Health Hazard GHS07

Hazard Statements

  • H315 Causes skin irritation

Precautionary Statements

  • P261 Avoid breathing dust/fume/gas/mist/vapours/spray
  • P264 Wash thoroughly after handling
  • P271 Use only outdoors or in a well-ventilated area
  • P280 Wear protective gloves/protective clothing/eye protection/face protection
  • P302+P352 IF ON SKIN: Wash with 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 continuously with water for several minutes. Remove contact lenses if present and easy to do, continue rinsing
  • P321 Specific treatment (see supplemental first aid instructions on this label)
  • P403+P233 Store in a well-ventilated place. Keep container tightly closed
  • P405 Store locked up
  • P501 Dispose of contents/container to an approved waste disposal plant

Synonyms (101)

  • P0699
  • s6321
  • DL-PPA
  • F13477
  • AC-3206
  • F093725
  • FP35013
  • PS-4663
  • 492-37-5
  • NSC42872
  • PD099465
  • STR03808
  • SY004963
  • 207-752-0
  • 2328-24-7
  • DB-021501
  • MSK165922
  • NSC 42872
  • NSC-42872
  • NSC245032
  • NSC245033
  • Q27121253
  • SBB007855
  • STL164373
  • CH15E393A2
  • CS-W016324
  • EBC-152352
  • F0001-1284
  • HY-W015608
  • NS00006882
  • NSC 245033
  • NSC-245033
  • ST50824213
  • Z756118128
  • CHEBI:48526
  • EN300-69310
  • SCHEMBL3418
  • CHEMBL370925
  • MFCD00002650
  • AKOS005206767
  • RefChem:89100
  • SCHEMBL297972
  • SCHEMBL727901
  • DTXCID20833771
  • DTXSID80862027
  • DTXSID90880934
  • SCHEMBL1156724
  • SCHEMBL4016238
  • SCHEMBL4781088
  • SCHEMBL4807191
Show 51 more names
  • SCHEMBL10411845
  • UNII-CH15E393A2
  • EINECS 207-752-0
  • Hydratropasaeure
  • Hydratropic acid
  • 2-Phenylpropionate
  • (+-)-Hydratropasaeure
  • (+-)-hydratropic acid
  • 2-Phenylpropionicacid
  • alpha-Phenylpropioate
  • (+/-)-Hydratropic acid
  • 2-Phenylpropanoic acid
  • 2-Phenylpropionic acid
  • Loxoprofen Impurity 12
  • 2-phenyl propanoic acid
  • 2-phenyl propionic acid
  • 2-Phenyl-propionic acid
  • (R)-(-)-Hydratropic acid
  • Propanoic acid, 2-phenyl
  • alpha-Phenylpropioic acid
  • DL-?-phenylpropionic acid
  • DL-2-Phenylpropionic Acid
  • propanoic acid, 2-phenyl-
  • (?)-2-Phenylpropionic acid
  • a-Methylbenzeneacetic acid
  • ALPHA-PHENYLPROPIONIC ACID
  • YPGCWEMNNLXISK-UHFFFAOYSA-
  • (+/-)2-phenylpropionic acid
  • (RS)-2-phenylpropionic acid
  • 2-Phenylpropionic acid, 97%
  • alpha-phenyl propionic acid
  • .alpha.-Phenylpropionic acid
  • (+/-) 2-phenylpropionic acid
  • (+/-)-2-phenylpropanoic acid
  • (+/-)-2-Phenylpropionic acid
  • (rac.)-2-phenylpropionic acid
  • alpha-Methylphenylacetic acid
  • alpha-Methylbenzeneacetic acid
  • racemic 2-phenylpropionic acid
  • .alpha.-Methylphenylacetic acid
  • dl-.alpha.-Phenylpropionic acid
  • .alpha.-Methylbenzeneacetic acid
  • Benzeneacetic acid, alpha-methyl-
  • Benzeneacetic acid, .alpha.-methyl-
  • Benzeneacetic acid, .alpha.-methyl-, (R)-
  • Benzeneacetic acid, .alpha.-methyl-, (S)-
  • Hydratropic acid [MeSH: hydratropic acid]
  • 2-Phenylpropionic acid [MeSH: hydratropic acid]
  • racemic (+)-alpha-methyl-alpha-phenylacetic acid
  • alpha-methyl-benzeneacetic acid /OD/ 2-phenylpropionic acid
  • InChI=1/C9H10O2/c1-7(9(10)11)8-5-3-2-4-6-8/h2-7H,1H3,(H,10,11)

Frequently asked questions

What is the CAS number of 2-Phenylpropionic acid?

The CAS Registry Number for 2-Phenylpropionic acid is 492-37-5.

What is the IUPAC name of 2-Phenylpropionic acid?

The IUPAC name of 2-Phenylpropionic acid is 2-phenylpropanoic acid.

What is the molecular formula of 2-Phenylpropionic acid?

2-Phenylpropionic acid has the molecular formula C9H10O2 and a molecular weight of 150.17 g/mol.

What is the SMILES notation for 2-Phenylpropionic acid?

The SMILES notation for 2-Phenylpropionic acid is CC(C1=CC=CC=C1)C(=O)O.

Is 2-Phenylpropionic acid hazardous?

2-Phenylpropionic acid carries the following GHS hazard classifications: Health Hazard. Signal word: Warning.

What are other names for 2-Phenylpropionic acid?

2-Phenylpropionic acid is also known as .alpha.-Methylbenzeneacetic acid, .alpha.-Methylphenylacetic acid, .alpha.-Phenylpropionic acid, (?)-2-Phenylpropionic acid, (+-)-Hydratropasaeure.

Data sourced from PubChem CID 10296. Last updated .

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