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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

Molecular Formula C9H12O
Molecular Weight 136.191
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Description

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

Approval Year

Conditions

ConditionModalityTargetsHighest PhaseProduct
Primary
Unknown

PubMed

Patents

Sample Use Guides

In Vivo Use Guide
maximum daily exposure on the skin of 0.0204 mg/kg for high end users
Route of Administration: Topical
In Vitro Use Guide
Unknown
Substance Class Chemical
Record UNII
U04IC2765C
Record Status Validated (UNII)
Record Version