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Hydrocinnamic acid-1,2,3−[13C3]

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General Information
Catalog: BLP-000669
CAS: 1173018-25-1
Molecular Formula: C6[13C]3H10O2
Molecular Weight: 153.15

Chemical Structure

Description	Hydrocinnamic acid-1,2,3−[13C3] is the labelled analogue of Hydrocinnamic acid. Hydrocinnamic acid, also known as phenylpropanoate or dihydrocinnamate, belongs to the class of organic compounds known as phenylpropanoic acids. Hydrocinnamic acid has a wide variety of uses including cosmetics, food additives, and pharmaceuticals.
Synonyms	3-Phenylpropionic acid-1,2,3-13C3; Hydrocinnamic acid-1,2,3−13C3; Benzenepropanoic Acid-1,2,3-13C3; 3-Phenyl-n-propionic Acid-1,2,3-13C3; 3-Phenylpropionic Acid-1,2,3-13C3; Benzenepropionic Acid-1,2,3-13C3; Benzylacetic Acid-1,2,3-13C3; Dihydrocinnamic Acid-1,2,3-13C3; NSC 9272-1,2,3-13C3; β-Phenylpropanoic Acid-1,2,3-13C3; β-Phenylpropionic Acid-1,2,3-13C3; ω-Phenylpropanoic Acid-1,2,3-13C3
IUPAC Name	3-phenyl(1,2,3-13C3)propanoic acid
Related CAS	501-52-0 (unlabelled)
Canonical 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)/i6+1,7+1,9+1
InChI Key	XMIIGOLPHOKFCH-BTEJHIBWSA-N
Boiling Point	280 °C
Melting Point	47-49 °C
Purity	99% (CP); 99% atom 13C
Density	1.092 g/cm3 at 25 °C
Solubility	Slightly soluble in Chloroform, Ethyl Acetate
Appearance	Off-white Waxy Solid
Storage	2-8 °C