Category: flavor and fragrance agents
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Physical Properties:
Appearance: | colorless to pale yellow clear oily liquid (est) |
Assay: | 97.00 to 100.00 %
|
Additional Assay Information: | racemate |
Food Chemicals Codex Listed: | No |
Specific Gravity: | 0.99300 to 1.00000 @ 25.00 °C.
|
Pounds per Gallon - (est).: | 8.263 to 8.321
|
Refractive Index: | 1.51700 to 1.52200 @ 20.00 °C.
|
Boiling Point: | 103.00 °C. @ 14.00 mm Hg
|
Boiling Point: | 219.00 to 220.00 °C. @ 760.00 mm Hg
|
Vapor Pressure: | 0.071000 mmHg @ 25.00 °C. (est) |
Flash Point: | 195.00 °F. TCC ( 90.56 °C. )
|
logP (o/w): | 1.919 (est) |
Soluble in: |
| alcohol | | water, 0.6 g/L @ 20 °C (exp) |
Insoluble in: |
| water |
Organoleptic Properties:
|
Odor Type: floral |
|
| sweet floral balsamic |
Odor Description: at 100.00 %. | sweet floral balsam |
|
|
Flavor Type: balsamic |
|
| balsamic honey |
Taste Description:
| balsam honey |
|
Odor and/or flavor descriptions from others (if found). |
|
|
Cosmetic Information:
Suppliers:
Safety Information:
Preferred SDS: View |
European information : |
Most important hazard(s): | Xi - Irritant |
R 38 - Irritating to skin. S 02 - Keep out of the reach of children. S 24 - Avoid contact with skin. S 36 - Wear suitable protective clothing.
|
|
Hazards identification |
|
Classification of the substance or mixture |
GHS Classification in accordance with 29 CFR 1910 (OSHA HCS) |
None found. |
GHS Label elements, including precautionary statements |
|
Pictogram | |
|
Hazard statement(s) |
None found. |
Precautionary statement(s) |
None found. |
Oral/Parenteral Toxicity: |
gavage-rat LD50 2800 mg/kg (Brown et al., 1955)
gavage-rat LD50 2500 mg/kg (Rohrbach & Robineau, 1958)
gavage-mouse LD50 500 mg/kg (Rohrbach & Robineau, 1958)
oral-mouse LD50 500 mg/kg Archives Internationales de Pharmacodynamie et de Therapie. Vol. 116, Pg. 154, 1958.
unreported-mouse LD50 1000 mg/kg German Offenlegungsschrift Patent Document. Vol. #2035334
|
Dermal Toxicity: |
skin-rabbit LD50 > 2000 mg/kg German Offenlegungsschrift Patent Document. Vol. #2035334
subcutaneous-mouse LD50 700 mg/kg Archives Internationales de Pharmacodynamie et de Therapie. Vol. 116, Pg. 154, 1958.
|
Inhalation Toxicity: |
Not determined
|
Safety in Use Information:
Category: | flavor and fragrance agents |
RIFM Fragrance Material Safety Assessment: Search |
IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice |
Recommendation for 1-phenyl propyl alcohol usage levels up to: | | 0.6000 % in the fragrance concentrate.
|
|
Maximised Survey-derived Daily Intakes (MSDI-EU): | 0.24 (μg/capita/day) |
Maximised Survey-derived Daily Intakes (MSDI-USA): | 0.10 (μg/capita/day) |
Threshold of Concern: | 1800 (μg/person/day) |
Structure Class: | I |
Use levels for FEMA GRAS flavoring substances on which the FEMA Expert Panel based its judgments that the substances are generally recognized as safe (GRAS). |
The Expert Panel also publishes separate extensive reviews of scientific information on all FEMA GRAS flavoring substances and can be found at FEMA Flavor Ingredient Library |
publication number: 3 |
Click here to view publication 3 |
| average usual ppm | average maximum ppm |
baked goods: | - | 1.50000 |
beverages(nonalcoholic): | - | 0.50000 |
beverages(alcoholic): | - | - |
breakfast cereal: | - | - |
cheese: | - | - |
chewing gum: | - | - |
condiments / relishes: | - | - |
confectionery froastings: | - | - |
egg products: | - | - |
fats / oils: | - | - |
fish products: | - | - |
frozen dairy: | - | 0.50000 |
fruit ices: | - | 0.50000 |
gelatins / puddings: | - | - |
granulated sugar: | - | - |
gravies: | - | - |
hard candy: | - | 1.50000 |
imitation dairy: | - | - |
instant coffee / tea: | - | - |
jams / jellies: | - | - |
meat products: | - | - |
milk products: | - | - |
nut products: | - | - |
other grains: | - | - |
poultry: | - | - |
processed fruits: | - | - |
processed vegetables: | - | - |
reconstituted vegetables: | - | - |
seasonings / flavors: | - | - |
snack foods: | - | - |
soft candy: | - | - |
soups: | - | - |
sugar substitutes: | - | - |
sweet sauces: | - | - |
Safety References:
Flavor & Extract Manufacturers Association (FEMA) reference(s): |
The FEMA GRAS assessment of aromatic substituted secondary alcohols, ketones, and related esters used as flavor ingredients. View pdf |
European Food Safety Athority(EFSA): | Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies... |
European Food Safety Authority (EFSA) reference(s): |
Opinion of the Scientific Panel on food additives, flavourings, processing aids and materials in contact with food (AFC) related to Flavouring Group Evaluation 16 (FGE.16): Aromatic ketones from chemical group 21 (Commission Regulation (EC) No 1565/2000 of 18 July 2000) View page or View pdf |
Flavouring Group Evaluation 16, Revision 1 (FGE.16Rev1)[1]: Aromatic ketones from chemical group 21- Opinion of the Scientific Panel on Food Additives, Flavourings, Processing Aids and Materials in Contact with Food View page or View pdf |
Flavouring Group Evaluation 69, (FGE.69)[1] - Consideration of aromatic substituted secondary alcohols, ketones and related esters evaluated by JECFA (57th meeting) structurally related to aromatic ketones from chemical group 21 evaluated by EFSA in FGE.16 (2006) - Opinion of the Scientific Panel on Food Additives, Flavourings, Processing Aids and Materials in Contact with Food View page or View pdf |
Flavouring Group Evaluation 16, Revision 2 (FGE.16Rev2): Aromatic ketones from chemical group 21 View page or View pdf |
Scientific Opinion on Flavouring Group Evaluation 69, Revision 1 (FGE.69Rev1): consideration of aromatic substituted secondary alcohols, ketones and related esters evaluated by JECFA (57th meeting), structurally related to aromatic ketones from chemical group 21 evaluated by EFSA in FGE.16Rev2 View page or View pdf |
EPI System: | View |
AIDS Citations: | Search |
Cancer Citations: | Search |
Toxicology Citations: | Search |
EPA Substance Registry Services (TSCA): | 93-54-9 |
EPA ACToR: | Toxicology Data |
EPA Substance Registry Services (SRS): | Registry |
Laboratory Chemical Safety Summary : | 7147 |
National Institute of Allergy and Infectious Diseases: | Data |
WGK Germany: | 3 |
| 1-phenylpropan-1-ol |
Chemidplus: | 0000093549 |
RTECS: | DO5470000 for cas# 93-54-9 |
References:
Other Information:
Potential Blenders and core components note
Potential Uses:
Occurrence (nature, food, other): note
Synonyms:
| benzenemethanol, a-ethyl- | | bilergon | | carbicol | | choleda | | ejibil | | epatoxfen | alpha- | ethyl benzene methanol | alpha- | ethyl benzyl alcohol | | ethyl phenyl carbinol | a- | ethylbenzenemethanol | (±)-a- | ethylbenzyl alcohol | a- | ethylbenzyl alcohol | | ethylphenylcarbinol | | felicur | | felitrope | | fepar | | gallenperlen | alpha- | hydroxypropyl benzene | | livonal | | phenyl cholon | | phenyl ethyl carbinol | 1- | phenyl propan-1-ol | 1- | phenyl propanol | 1- | phenyl-1-hydroxypropane | 1- | phenyl-1-propanol | 1- | phenylpropan-1-ol | 1- | phenylpropanol | 1- | phenylpropyl alcohol | | propan-1-ol, 1-phenyl- | | unichol |
Articles:
PubMed: | NBO, conformational, NLO, HOMO-LUMO, NMR and electronic spectral study on 1-phenyl-1-propanol by quantum computational methods. |
PubMed: | Optical resolution of aromatic alcohols using silica nanoparticles grafted with helicene. |
PubMed: | Density functional theory studies on the inclusion complexes of cyclic decapeptide with 1-phenyl-1-propanol enantiomers. |
PubMed: | Optimization of lipase-catalyzed enantioselective production of 1-phenyl 1-propanol using response surface methodology. |
PubMed: | Kinetic resolution of racemic 1-phenyl 1-propanol by lipase catalyzed enantioselective esterification reaction. |
PubMed: | Comparison of chiral electrophoretic separation methods for phenethylamines and application on impurity analysis. |
PubMed: | Asymmetric synthesis of (S)-3-chloro-1-phenyl-1-propanol using Saccharomyces cerevisiae reductase with high enantioselectivity. |
PubMed: | Halonium ion-assisted deiodination of styrene-based vicinal iodohydrins followed by rearrangement through phenyl migration. |
PubMed: | Antagonism of human adiponectin receptors and their membrane progesterone receptor paralogs by TNFalpha and a ceramidase inhibitor. |
PubMed: | Effects of ceramide, ceramidase inhibition and expression of ceramide kinase on cytosolic phospholipase A2alpha; additional role of ceramide-1-phosphate in phosphorylation and Ca2+ signaling. |
PubMed: | Dual DAT/sigma1 receptor ligands based on 3-(4-(3-(bis(4-fluorophenyl)amino)propyl)piperazin-1-yl)-1-phenylpropan-1-ol. |
PubMed: | Antidepressant-like pharmacological profile of a novel triple reuptake inhibitor, (1S,2S)-3-(methylamino)-2-(naphthalen-2-yl)-1-phenylpropan-1-ol (PRC200-SS). |
PubMed: | Experimental probing and modeling of key sorbent-solute interactions of norephedrine enantiomers with polysaccharide-based chiral stationary phases. |
PubMed: | Analysis of the mechanism of asymmetric amplification by chiral auxiliary trans-1,2-diaminocyclohexane bistriflamide. |
PubMed: | Modulation of ceramide metabolism in T-leukemia cell lines potentiates apoptosis induced by the cationic antimicrobial peptide bovine lactoferricin. |
PubMed: | Polymer supported naphthalene-catalysed sodium reactions. |
PubMed: | Conformational preferences of chiral molecules: free jet rotational spectrum of 1-phenyl-1-propanol. |
PubMed: | Oxovanadium(V) tetrathiacalix[4]arene complexes and their activity as oxidation catalysts. |
PubMed: | De novo C16- and C24-ceramide generation contributes to spontaneous neutrophil apoptosis. |
PubMed: | Enantioseparation of 1-phenyl-1-propanol on cellulose-derived chiral stationary phase by supercritical fluid chromatography II. Non-linear isotherm. |
PubMed: | Oxidations of secondary alcohols to ketones using easily recyclable bis(trifluoroacetate) adducts of fluorous alkyl iodides, CF3(CF2)(n-1)I(OCOCF3)2. |
PubMed: | New chiral Schiff base as a tridentate ligand for catalytic enantioselective addition of diethylzinc to aldehydes. |
PubMed: | Excitation, ionization, and fragmentation of chiral molecules in asymmetric microenvironments: a mass-resolved R2PI spectroscopic study. |
PubMed: | Apoptosis induced by intracellular ceramide accumulation in MDA-MB-435 breast carcinoma cells is dependent on the generation of reactive oxygen species. |
PubMed: | Enantioseparation of secondary alcohols by diastereoisomeric salt formation. |
PubMed: | Chiral clusters in a supersonic beam: R2PI-TOF spectroscopy of diastereomeric carboxylic esters/(R)-(+)-1-phenyl-1-propanol complexes. |
PubMed: | Enantioseparation of 1-phenyl-1-propanol by supercritical fluid-simulated moving bed chromatography. |
PubMed: | Enantioseparation of 1-phenyl-1-propanol on Chiralcel OD by supercritical fluid chromatography. I. Linear isotherm. |
PubMed: | Ceramide enhances acrosomal exocytosis triggered by calcium and the calcium ionophore A23187 in boar spermatozoa. |
PubMed: | Chiral ligands derived from Abrine 8. An experimental and theoretical study of free ligand conformational preferences and the addition of diethylzinc to benzaldehyde. |
PubMed: | Sphingosine-dependent apoptosis: a unified concept based on multiple mechanisms operating in concert. |
PubMed: | Complex formation equilibria of some aromatic beta-amino-alcohols. |
PubMed: | Overcoming resistance to gamma-rays in squamous carcinoma cells by poly-drug elevation of ceramide levels. |
PubMed: | Highly efficient chiral metal cluster systems derived from Ru3(CO)12 and chiral diiminodiphosphines for the asymmetric transfer hydrogenation of ketones. |
PubMed: | Numerical determination of the competitive isotherm of enantiomers. |
PubMed: | Chiral discrimination of 2,3-butanediols by laser spectroscopy. |
PubMed: | A silica gel-supported ruthenium complex of 1,4,7-trimethyl-1,4,7-triazacyclononane as recyclable catalyst for chemoselective oxidation of alcohols and alkenes by tert-butyl hydroperoxide. |
PubMed: | Application of the general rate model and the generalized Maxwell-Stefan equation to the study of the mass transfer kinetics of a pair of enantiomers. |
PubMed: | ABT-866, a novel alpha(1A)-adrenoceptor agonist with antagonist properties at the alpha(1B)- and alpha(1D)-adrenoceptor subtypes. |
PubMed: | Optimization of catalyst enantioselectivity and activity using achiral and meso ligands. |
PubMed: | Study of the adsorption equilibria of the enantiomers of 1-phenyl-1-propanol on cellulose tribenzoate using a microbore column. |
PubMed: | Bcl-2 overexpression prevents apoptosis induced by ceramidase inhibitors in malignant melanoma and HaCaT keratinocytes. |
PubMed: | Transient relaxation of rat mesenteric microvessels by ceramides. |
PubMed: | Nerve growth factor-induced p75-mediated death of cultured hippocampal neurons is age-dependent and transduced through ceramide generated by neutral sphingomyelinase. |
PubMed: | Modeling of the separation of the enantiomers of 1-phenyl-1-propanol on cellulose tribenzoate. |
PubMed: | Residue size at position 87 of cytochrome P450 BM-3 determines its stereoselectivity in propylbenzene and 3-chlorostyrene oxidation. |
PubMed: | Immobilization of chiral ligands on polymer fibers by electron beam induced grafting and applications in enantioselective catalysis. |
PubMed: | Resolution and synthesis of optically active alcohols with immobilized ovalbumin and pea protein as new bio-catalysts. |
PubMed: | Possible involvement of ceramide in the regulation of rat Leydig cell function. |
PubMed: | Enantioseparation of 1-phenyl-1-propanol by simulated moving bed under linear and nonlinear conditions. |
PubMed: | Adsorption behavior and prediction of the band profiles of the enantiomers of 3-chloro-1-phenyl-1-propanol. Influence of the mass transfer kinetics. |
PubMed: | Study of the adsorption behavior of the enantiomers of 1-phenyl-1-propanol on a cellulose-based chiral stationary phase. |
PubMed: | Short-range interactions within molecular complexes formed in supersonic beams: structural effects and chiral discrimination |
PubMed: | (1R,2S)-2-[N-methyl-N-(4-toluene-sulfonyl)amino]-1-phenylpropan-1-ol. |
PubMed: | Effect of N-acetylsphingosine (C2) and the ceramidase inhibitor (1S,2R)-D-erythro-2-(N-myristoylamino)-1-phenyl-1-propanol on the regulation of Sertoli cell function. |
PubMed: | Role of sphingosine 1-phosphate in the mitogenesis induced by oxidized low density lipoprotein in smooth muscle cells via activation of sphingomyelinase, ceramidase, and sphingosine kinase. |
PubMed: | Studies on the interactions of chiral secondary alcohols with rat hydroxysteroid sulfotransferase STa. |
PubMed: | (1S,2R)-D-erythro-2-(N-myristoylamino)-1-phenyl-1-propanol as an inhibitor of ceramidase. |
PubMed: | Photochemical and photobiological properties of ketoprofen associated with the benzophenone chromophore. |
PubMed: | Ceramide-mediated biology. Determination of structural and stereospecific requirements through the use of N-acyl-phenylaminoalcohol analogs. |
PubMed: | Benzylic alcohols as stereospecific substrates and inhibitors for aryl sulfotransferase. |
PubMed: | Stereospecific metabolic reduction of ketones. |
PubMed: | The effects of cofactor and species differences on the in vitro metabolism of propiophenone and phenylacetone. |
PubMed: | Electron-capture GLC determination of pseudoephedrine in serum. |
PubMed: | Comparison of antimicrobial activity of nuclear-substituted aromatic esters of 5-dimethylamino-1-phenyl-3-pentanol and 3-dimethylamino-1-phenyl-1-propanol with related cyclic analogs. |
PubMed: | [Effect of compound 921 C (1-cyclohexyl-3-diethylamino-1-phenyl-1-propanol ethiodide) on gastric secretion and gastrointestinal motility]. |
PubMed: | Synthesis of 2-amino-1-phenyl-1-propanol and its methylated derivatives. |
|