Name
Hydrocinnamic acid
CAS
501-52-0
HMDB ID
Synonyms
3-Phenyl-N-propionate
3-Phenyl-N-propionic acid
3-Phenylpropanoate
3-Phenylpropanoic acid
3-Phenylpropionate
3-Phenylpropionic acid
Benzenepropionate
Benzenepropionic acid
Benzylacetate
Benzylacetic acid
Dihydrocinnamate
Dihydrocinnamic acid
Hydrocinnamate
Hydrocinnamic acid
Omega-Phenylpropanoate
Omega-Phenylpropanoic acid
b-Phenylpropionate
b-Phenylpropionic acid
beta-Phenylpropionate
beta-Phenylpropionic acid
w-Phenylpropanoate
w-Phenylpropanoic acid
Molecular formula
C9H10O2
Average molecular weight
150.17
Monoisotopic mass of parent ion
150.0681
Verified Purity
98%
Solubility
N/A
Chromatogram
N/A
Find the volume
mg
g/mol
mM
Find the weight
mM
g/mol
mL
Find the concentration
g/mol
mL
mg
(%)
Chloroform
100
80
60
40
20
0
0
20
40
60
80
100
MeOH
(%)
(%)
H2O
100
80
60
40
20
0
0
20
40
60
80
100
MeOH
(%)
(%)
H2O
100
80
60
40
20
0
0
20
40
60
80
100
DMSO
(%)
H2O (pH)
9
8
7
6
5
4
3
Information
Version
5.0
Status
Detected but not Quantified
HMDB Name
Hydrocinnamic acid
Structure
SMILES
OC(=O)CCC1=CC=CC=C1
Description
Hydrocinnamic acid, also known as 3-phenylpropanoic acid or dihydrocinnamic acid, belongs to the class of organic compounds known as phenylpropanoic acids. Phenylpropanoic acids are compounds with a structure containing a benzene ring conjugated to a propanoic acid (C6-C3). Phenylpropanoic acid can be prepared from cinnamic acid by hydrogenation. Hydrocinnamic acid is a sweet, balsamic, and cinnamon tasting compound. This compound is used frequently in cosmetic products such as perfumes, bath gels, detergent powders, liquid detergents, fabric softeners, and soaps as it gives off a floral scent. A characteristic reaction of phenylpropanoic acid is its cyclization to indanones. Phenylpropanoic acid is used in the food industry to preserve and maintain the original aroma quality of frozen foods. Phenylpropanoic acid is also added to food for technological purposes in a wide variety including manufacturing, processing, preparation, treatment, packaging, transportation or storage, and food additives. This compound is used as a sweetener as well to sweeten food and can be found in tabletop sweeteners.
Physical Properties
State
Solid
Experimental Properties
Property
Value
Reference
Melting Point
45 - 48 °C
Boiling Point
280.00 °C. @ 760.00 mm Hg
The Good Scents Company Information System
Water Solubility
5.9 mg/mL
LogP
1.84
HANSCH,C ET AL. (1995)
Biological Properties
Cellular Locations
Cytoplasm
Membrane
Biospecimen Locations
Blood
Feces
Saliva
Urine
Tissue Locations
Kidney
Liver
Normal Concentrations
Biospecimen
Status
Value
Age
Sex
Condition
Reference
Details
Blood
Expected but not Quantified
Consuming polyphenols described by Phenol-Explorer entry 975
Blood
Detected and Quantified
0.553 +/- 0.109 uM
Adult (>18 years old)
Male
Normal
Blood
Detected and Quantified
0.938 +/- 0.429 uM
Adult (>18 years old)
Male
Normal
Blood
Detected and Quantified
1.057 +/- 0.424 uM
Adult (>18 years old)
Male
Normal
Blood
Detected and Quantified
44.348 +/- 43.85 uM
Adult (>18 years old)
Male
Normal
Blood
Detected and Quantified
0.58 +/- 0.121 uM
Adult (>18 years old)
Male
Normal
Blood
Detected and Quantified
0.504 +/- 0.062 uM
Adult (>18 years old)
Male
Normal
Blood
Detected and Quantified
0.54 +/- 0.108 uM
Adult (>18 years old)
Male
Normal
Blood
Detected and Quantified
2.111 +/- 1.705 uM
Adult (>18 years old)
Male
Normal
Blood
Detected but not Quantified
Adult (>18 years old)
Female
Normal
Blood
Detected but not Quantified
Adult (>18 years old)
Both
Normal
Feces
Detected but not Quantified
Infant (0-1 year old)
Normal
Feces
Detected and Quantified
199.768 +/- 141.169 nmol/g wet feces
Adult (>18 years old)
Both
Normal
Feces
Detected and Quantified
200.433 +/- 195.772 nmol/g wet feces
Adult (>18 years old)
Both
Normal
Feces
Detected and Quantified
415.517 +/- 423.507 nmol/g wet feces
Adult (>18 years old)
Both
Normal
Feces
Detected and Quantified
543.368 +/- 417.514 nmol/g wet feces
Adult (>18 years old)
Both
Normal
Feces
Detected and Quantified
514.735 +/- 219.611 nmol/g wet feces
Not Specified
Not Specified
Normal
Feces
Detected and Quantified
284.336 +/- 246.380 nmol/g wet feces
Not Specified
Not Specified
Normal
Feces
Detected but not Quantified
Adult (>18 years old)
Both
Normal
Feces
Detected but not Quantified
Not Specified
Not Specified
Normal
Feces
Detected but not Quantified
Not Specified
Not Specified
Normal
Feces
Detected but not Quantified
Adult (>18 years old)
Male
Normal
Feces
Detected but not Quantified
Adult (>18 years old)
Male
Normal
Feces
Detected but not Quantified
Adult (>18 years old)
Both
Normal
Feces
Detected but not Quantified
Adult (>18 years old)
Both
Normal
Feces
Detected but not Quantified
Adult (>18 years old)
Both
Normal
Feces
Detected but not Quantified
Adult (>18 years old)
Both
Normal
Feces
Detected but not Quantified
Infant (0-1 year old)
Not Specified
Normal
Feces
Detected but not Quantified
Infant (0-1 year old)
Not Specified
Normal
Feces
Detected but not Quantified
Adult (>18 years old)
Both
Normal
Feces
Detected but not Quantified
Adult (>18 years old)
Both
Normal
Feces
Detected but not Quantified
Adult (>18 years old)
Both
Normal
Feces
Detected but not Quantified
Adult (>18 years old)
Both
Normal
Feces
Detected but not Quantified
Adult (>18 years old)
Not Specified
Normal
Feces
Detected but not Quantified
Adult (>18 years old)
Both
Normal
Feces
Detected and Quantified
76.977 (44.868-308.974) nmol/g wet feces
Adult (>18 years old)
Both
Normal
Feces
Detected but not Quantified
Adult (>18 years old)
Both
Normal
Saliva
Detected and Quantified
44.28 +/- 23.39 uM
Adult (>18 years old)
Both
Normal
Saliva
Detected but not Quantified
Adult (>18 years old)
Both
Normal
Saliva
Detected but not Quantified
Adult (>18 years old)
Male
Normal
Saliva
Detected but not Quantified
Adult (>18 years old)
Male
Normal
Saliva
Detected but not Quantified
Adult (>18 years old)
Male
Normal
Saliva
Detected but not Quantified
Adult (>18 years old)
Male
Normal
Saliva
Detected but not Quantified
Adult (>18 years old)
Male
Normal
Saliva
Detected but not Quantified
Adult (>18 years old)
Male
Normal
Saliva
Detected but not Quantified
Adult (>18 years old)
Male
Normal
Saliva
Detected but not Quantified
Adult (>18 years old)
Male
Normal
Saliva
Detected but not Quantified
Adult (>18 years old)
Male
Normal
Saliva
Detected but not Quantified
Adult (>18 years old)
Male
Normal
Saliva
Detected and Quantified
2.34 +/- 2.49 uM
Adult (>18 years old)
Female
Normal
Saliva
Detected and Quantified
2.40 +/- 3.87 uM
Adult (>18 years old)
Not Specified
Normal
Saliva
Detected and Quantified
3.54 +/- 2.71 uM
Adult (>18 years old)
Female
Normal
Saliva
Detected and Quantified
4.07 +/- 3.99 uM
Adult (>18 years old)
Not Specified
Normal
Urine
Expected but not Quantified
Consuming polyphenols described by Phenol-Explorer entry 975
Urine
Detected and Quantified
0.176 +/- 0.075 umol/mmol creatinine
Adult (>18 years old)
Male
Normal
Urine
Detected and Quantified
0.142 +/- 0.06 umol/mmol creatinine
Adult (>18 years old)
Male
Normal
Urine
Detected and Quantified
0.181 +/- 0.038 umol/mmol creatinine
Adult (>18 years old)
Male
Normal
Urine
Detected but not Quantified
Adult (>18 years old)
Both
Normal
Abnormal Concentrations
Biospecimen
Status
Value
Age
Sex
Condition
Reference
Details
Blood
Detected and Quantified
0.5 (0.0-1.0) uM
Adult (>18 years old)
Both
Prostate Cancer
Feces
Detected but not Quantified
Adult (>18 years old)
Both
Irritable bowel syndrome
Feces
Detected but not Quantified
Adult (>18 years old)
Both
Irritable bowel syndrome
Feces
Detected but not Quantified
Adult (>18 years old)
Both
Ulcerative colitis
Feces
Detected but not Quantified
Adult (>18 years old)
Both
Colorectal Cancer
Feces
Detected but not Quantified
Adult (>18 years old)
Both
Crohn disease
Feces
Detected but not Quantified
Adult (>18 years old)
Both
Ulcerative colitis
Feces
Detected but not Quantified
Adult (>18 years old)
Both
Colorectal cancer
Feces
Detected but not Quantified
Adult (>18 years old)
Both
Colorectal cancer
Saliva
Detected but not Quantified
Adult (>18 years old)
Male
Attachment loss
Saliva
Detected but not Quantified
Adult (>18 years old)
Male
Missing teeth
Saliva
Detected but not Quantified
Adult (>18 years old)
Male
Periodontal Probing Depth
Saliva
Detected but not Quantified
Adult (>18 years old)
Male
Prosthesis/Missing teeth
Saliva
Detected but not Quantified
Adult (>18 years old)
Male
Supragingival Plaque
Saliva
Detected but not Quantified
Adult (>18 years old)
Male
Tooth Decay
Spectra
Type
Description
View
Predicted GC-MS
splash10-0f6x-8900000000-bbfe334bf7c6f8fab3ed
Predicted GC-MS
splash10-0596-9510000000-32f6cb9988fbfb2c022e
Predicted GC-MS
Predicted GC-MS
Predicted GC-MS
Predicted LC-MS/MS
splash10-001i-0900000000-270ffc8363f873d177bd
Predicted LC-MS/MS
splash10-053r-1900000000-add76f4d7844f97853a1
Predicted LC-MS/MS
splash10-0pdi-9700000000-96205e3f347617fff0ef
Predicted LC-MS/MS
splash10-001i-0900000000-270ffc8363f873d177bd
Predicted LC-MS/MS
splash10-053r-1900000000-add76f4d7844f97853a1
Predicted LC-MS/MS
splash10-0pdi-9700000000-96205e3f347617fff0ef
Predicted LC-MS/MS
splash10-0002-0900000000-5b044bdcdf02a8a2de01
Predicted LC-MS/MS
splash10-0532-0900000000-c1c19922a709d7d6d7ce
Predicted LC-MS/MS
splash10-053r-3900000000-c83fd537546837259692
Predicted LC-MS/MS
splash10-0002-0900000000-5b044bdcdf02a8a2de01
Predicted LC-MS/MS
splash10-0532-0900000000-c1c19922a709d7d6d7ce
Predicted LC-MS/MS
splash10-053r-3900000000-c83fd537546837259692
Pathways
Name
SMPDB / Pathwhiz
KEGG
None available