Hydrocinnamic acid

Description

Hydrocinnamic acid is identified by CAS 501-52-0, molecular formula C9H10O2 and molecular weight 150.07 g/mol. UNII 5Q445IN5CU; ChEBI 28631; InChIKey XMIIGOLPHOKFCH-UHFFFAOYSA-N. Boiling Point: 279.8; Boiling Point: 280.00 °C. @ 760.00 mm Hg; Boiling Point: 280 °C.

Identification

CAS Registry Number	501-52-0
PubChem CID	107
Molecular formula	C9H10O2
Molecular weight	150.07 g/mol
IUPAC name	3-phenylpropanoic acid
InChIKey	XMIIGOLPHOKFCH-UHFFFAOYSA-N
UNII (FDA)	5Q445IN5CU
ChEBI ID	CHEBI:28631
FEMA number	2889
JECFA number	646

Computed Descriptors

Molecular Weight	150.17
XLogP3	1.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	150.068079557
Monoisotopic Mass	150.068079557
Topological Polar Surface Area	37.3
Heavy Atom Count	11
Formal Charge	0

Physical & Chemical Properties

Boiling Point	279.8
Boiling Point	280.00 °C. @ 760.00 mm Hg
Boiling Point	280 °C
Melting Point	107
Melting Point	45 - 48 °C
Solubility	5900
Solubility	5.9 mg/mL
LogP	1.84
LogP	1.91
Dissociation Constants	4.66 (at 18 °C)

Physical description & handling notes

• White solid; [Merck Index] Off-white or white crystalline powder; [Alfa Aesar MSDS]
• Solid
• White crystalline solid, faint, sweet, somewhat balsamic and coumarin-like odour
• slightly soluble in water; soluble in oils
• moderately soluble (in ethanol)
• 139.0 Ų [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: TOXCAST; Source Identifier: DTXSID2047064]

Regulatory Status

Regulatory & Food Contact	EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent No safety concern at current levels of intake when used as a flavouring agent TRS 901-JECFA 55/22
GHS notification summary	95.6% (238 / 249)

GHS Hazard Classification

GHS notification summary	95.6% (238 / 249)

Documented Uses

• Used as flavoring agent or adjuvant; [FDA]
• Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
• Flavoring Agents -> JECFA Flavorings Index
• Phenylpropanoate (Class: Other Substances, Added Date: 03-2000)

Synonyms

hydrocinnamic acid; 3-phenylpropionic acid; 501-52-0; Benzenepropanoic acid; Dihydrocinnamic acid; Benzenepropionic acid; 3-Phenyl propionic acid; 3-Phenyl-propionic acid; FEMA No. 2889; DTXSID2047064; 5Q445IN5CU; NSC-9272; DTXCID0027064; CHEBI:28631; RefChem:789007; 207-924-5

Frequently Asked Questions

What are the CAS number and molecular formula of Hydrocinnamic acid?

CAS 501-52-0; molecular formula C9H10O2; molecular weight 150.07 g/mol.

What other names is Hydrocinnamic acid known by?

hydrocinnamic acid, 3-phenylpropionic acid, 501-52-0, Benzenepropanoic acid, Dihydrocinnamic acid, Benzenepropionic acid.

What is the regulatory status of Hydrocinnamic acid?

Documented regulatory listings: EU Flavoring substances; FDA Substance added to food: FLAVORING AGENT OR ADJUVANT; Flavoring Agents.

Is Hydrocinnamic acid classified as hazardous?

95.6% of GHS notifications report no hazard classification (238 of 249).

What are the key physical properties of Hydrocinnamic acid?

Boiling Point: 279.8; Boiling Point: 280.00 °C. @ 760.00 mm Hg; Boiling Point: 280 °C; Melting Point: 107.

Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.