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Details

Stereochemistry ACHIRAL
Molecular Formula C9H12O
Molecular Weight 136.191
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-PHENYL-1-PROPANOL

SMILES

OCCCC1=CC=CC=C1

InChI

InChIKey=VAJVDSVGBWFCLW-UHFFFAOYSA-N
InChI=1S/C9H12O/c10-8-4-7-9-5-2-1-3-6-9/h1-3,5-6,10H,4,7-8H2

HIDE SMILES / InChI

Description
Curator's Comment: The description was created based on several sources, including https://www.ncbi.nlm.nih.gov/pubmed/15236842 | https://www.ncbi.nlm.nih.gov/pubmed/19957926 | https://www.ncbi.nlm.nih.gov/pubmed/13639974

3-Phenyl-1-propanol is a fragrance ingredient used in many compounds. It may be found in fragrances used in decorative cosmetics, fine fragrances, shampoos, toilet soaps and other toiletries as well as in non-cosmetic products such as household cleaners and detergents. It is a colorless slightly oily liquid, possessing a warm and mild, balsamic-floral, sweet odor of moderate tenacity. This material has been reported to occur in nature, with highest quantities observed in Guava and Feyoa. The worldwide volume of use for 3-phenyl-1-propanol is in the region of 100–1000 metric tons per year. 3-Phenyl-1-propanol was used to study the hydrogenation of trans-cinnamaldehyde using water-soluble organometallic complexes. It was used as starting reagent during the enantioselective synthesis of (S)- and (R)-dapoxetine.

Originator

Sources: Compt. rend. (1906), 143, 829-31.

Approval Year

Conditions

Conditions

ConditionModalityTargetsHighest PhaseProduct
Primary
Unknown

Approved Use

Unknown
PubMed

PubMed

TitleDatePubMed
One-pot regioselective synthesis of chromanyl(phenyl)-lambda(3)-iodanes: tandem oxidative cyclization and lambda(3)-iodanation of 3-phenylpropanols.
2007 May 10
Development of a novel catalytic membrane reactor for heterogeneous catalysis in supercritical CO₂.
2010 Jan 13
Aminodifluorosulfinium salts: selective fluorination reagents with enhanced thermal stability and ease of handling.
2010 May 21
Patents

Patents

Sample Use Guides

maximum daily exposure on the skin of 0.0204 mg/kg for high end users
Route of Administration: Topical
In Vitro Use Guide
Unknown
Name Type Language
3-PHENYL-1-PROPANOL
FCC   FHFI  
Systematic Name English
.GAMMA.-PHENYLPROPYL ALCOHOL
Systematic Name English
3-PHENYLPROPAN-1-OL
Systematic Name English
FEMA NO. 2885
Code English
HYDROCINNAMIC ALCOHOL
Common Name English
3-PHENYL-1-PROPANOL [FCC]
Common Name English
HYDROCINNAMYL ALCOHOL
Systematic Name English
3-PHENYL-1-PROPANOL [FHFI]
Common Name English
ALVERINE CITRATE IMPURITY B [EP IMPURITY]
Common Name English
3-PHENYLPROPYL ALCOHOL
Systematic Name English
.GAMMA.-PHENYLPROPANOL
Systematic Name English
PHENYLPROPYL ALCOHOL
Systematic Name English
PHENYLETHYL CARBINOL
Systematic Name English
NSC-16942
Code English
1-PROPANOL, 3-PHENYL-
Systematic Name English
3-PHENYLPROPANOL
Systematic Name English
Classification Tree Code System Code
EPA PESTICIDE CODE 40511
Created by admin on Fri Dec 15 17:33:15 GMT 2023 , Edited by admin on Fri Dec 15 17:33:15 GMT 2023
JECFA EVALUATION 3-PHENYL-1-PROPANOL
Created by admin on Fri Dec 15 17:33:15 GMT 2023 , Edited by admin on Fri Dec 15 17:33:15 GMT 2023
CFR 21 CFR 172.515
Created by admin on Fri Dec 15 17:33:15 GMT 2023 , Edited by admin on Fri Dec 15 17:33:15 GMT 2023
Code System Code Type Description
ECHA (EC/EINECS)
204-587-6
Created by admin on Fri Dec 15 17:33:15 GMT 2023 , Edited by admin on Fri Dec 15 17:33:15 GMT 2023
PRIMARY
MESH
C016655
Created by admin on Fri Dec 15 17:33:15 GMT 2023 , Edited by admin on Fri Dec 15 17:33:15 GMT 2023
PRIMARY
FDA UNII
U04IC2765C
Created by admin on Fri Dec 15 17:33:15 GMT 2023 , Edited by admin on Fri Dec 15 17:33:15 GMT 2023
PRIMARY
NSC
16942
Created by admin on Fri Dec 15 17:33:15 GMT 2023 , Edited by admin on Fri Dec 15 17:33:15 GMT 2023
PRIMARY
DAILYMED
U04IC2765C
Created by admin on Fri Dec 15 17:33:15 GMT 2023 , Edited by admin on Fri Dec 15 17:33:15 GMT 2023
PRIMARY
HSDB
8266
Created by admin on Fri Dec 15 17:33:15 GMT 2023 , Edited by admin on Fri Dec 15 17:33:15 GMT 2023
PRIMARY
EPA CompTox
DTXSID6041638
Created by admin on Fri Dec 15 17:33:15 GMT 2023 , Edited by admin on Fri Dec 15 17:33:15 GMT 2023
PRIMARY
JECFA MONOGRAPH
171
Created by admin on Fri Dec 15 17:33:15 GMT 2023 , Edited by admin on Fri Dec 15 17:33:15 GMT 2023
PRIMARY
PUBCHEM
31234
Created by admin on Fri Dec 15 17:33:15 GMT 2023 , Edited by admin on Fri Dec 15 17:33:15 GMT 2023
PRIMARY
RXCUI
2479688
Created by admin on Fri Dec 15 17:33:15 GMT 2023 , Edited by admin on Fri Dec 15 17:33:15 GMT 2023
PRIMARY
CAS
122-97-4
Created by admin on Fri Dec 15 17:33:15 GMT 2023 , Edited by admin on Fri Dec 15 17:33:15 GMT 2023
PRIMARY