Benzenepropanoic acid
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Benzenepropanoic acid
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CAS No:
501-52-0
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Formula:
C9H10O2
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Chemical Name:
Benzenepropanoic acid
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Synonyms:
Benzenepropanoic acid;Hydrocinnamic acid;Benzylacetic acid;β-Phenylpropionic acid;3-Phenylpropionic acid;Dihydrocinnamic acid;Benzenepropionic acid;3-Phenylpropanoic acid;3-Phenyl-n-propionic acid;ω-Phenylpropanoic acid;NSC 9272;β-Phenylpropanoic acid
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CAS No:
Description
Hydrocinnamic acid is the major rhizospheric compound with known growth regulatory activities.
Solid|White crystalline solid, faint, sweet, somewhat balsamic and coumarin-like odour
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 human metabolite and a plant metabolite. It is a monocarboxylic acid and a member of benzenes. It derives from a propionic acid. It is a conjugate acid of a 3-phenylpropionate.
Benzenepropanoic acid Basic Attributes
150.174
150.17
207-924-5
5Q445IN5CU
9272
DTXSID2047064
2916399090
Characteristics
37.30000
1.8
Solid
1.07
107 °C
279.8 °C
170.0±13.9 °C
1.542
Soluble in water
Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.
0.00 mmHg
4.66(at 18 °C)
135.74 Ų [M-H]- [CCS Type: DT, Method: single field calibrated with Agilent tune mix (Agilent)]
Safety Information
NONH for all modes of transport
3
R36/37/38
S22-S24/25-S37/39-S26
DA8600000
Xi:Irritant
Stable at room temperature in closed containers under normal storage and handling conditions.
P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501
H315
Not Classified
Benzenepropanoic acid Use and Manufacturing
Food Industry
3-Phenylpropionic acid is utilized in the food industry as a preservative as well as to maintain the original quality of aroma of frozen foods. It is also used for flavoring and restoring original color to food. 3-Phenylpropionic acid is added to shelved foods to prevent microorganisms from deteriorating the food. It also acts as an antioxidant to prolong the life of foodstuff in shelves. 3-Phenylpropionic acid is also used as a food sweetener.
3-Phenylpropionic acid acts as an emulsifier as it can keep water and oil mixtures separated. 3-Phenylpropionic acid can be added in food for technological reasons in wide range such as processing, manufacturing, packaging, treatment, transportation, and storage.
Cosmetics
3-Phenylpropionic acid is used in beautifying products such as bath gels, detergent powders, and fabric softeners as it gives a floral scent. It is also used as a flavour for mouthwashes and toothpastes.
Used in the compositions for the treatment of blood disorders using α-methylhydrocinnamic acid. Hydrocinnamic acid was used in the synthesis of three medium-chain acyl-Coenzyme A′s i.e. 3-phenylpropionyl-CoA from mixed anhydrides of fatty acids.
Benzenepropanoic acid: ACTIVE
Food additives -> Flavoring Agents|Flavoring Agents -> JECFA Flavorings Index
Flavoring Agents
Computed Properties
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
Complexity:126
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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