3-phenyl propionaldehyde

3-phenylpropionaldehyde

CAS: 104-53-0 C9 H10 O MW: 134.17790000 green green

Identification

Name3-phenyl propionaldehyde
IUPAC3-phenylpropanal
CAS Number104-53-0
EINECS203-211-8
FDA UNIILP1E86N30T
Molecular FormulaC9 H10 O
Molecular Weight134.17790000
MDL NumberMFCD00007021
Nikkaji NumberJ36.950K
Beilstein1071910
CoE Number2013
XlogP31.30 (est)

Regulatory

JECFA Food Flavoring645 3-phenylpropionaldehyde
DG SANTE Food Flavourings05.080 3-phenylpropanal
FEMA Number2887
FDANo longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF)104-53-0 ; 3-PHENYLPROPIONALDEHYDE
FDA RegulationFDA PART 172 -- FOOD ADDITIVES PERMITTED FOR DIRECT ADDITION TO FOOD FOR HUMAN CONSUMPTION

Physical Properties

Appearance colorless to pale yellow clear viscous liquid (est)
Assay 95.00 to 100.00
Equivalence Factor for Assay 69.09
Halogens Chlorine free
Food Chemicals Codex Listed Yes
Specific Gravity 1.00700 to 1.01500 @ 25.00 °C., 1.00800 to 1.01600 @ 20.00 °C.
Pounds per Gallon - (est). 8.379 to 8.446
Pounds per Gallon - est. 8.397 to 8.464
Refractive Index 1.51900 to 1.52300 @ 20.00 °C., 1.51800 to 1.52800 @ 20.00 °C.
Melting Point 47.00 °C. @ 760.00 mm Hg
Boiling Point 97.00 to 98.00 °C. @ 12.00 mm Hg, 104.00 to 105.00 °C. @ 13.00 mm Hg
Acid Value 10.00 max. KOH/g
Vapor Pressure 0.131000 mmHg @ 25.00 °C. (est)
Flash Point 203.00 °F. TCC ( 95.00 °C. )
logP (o/w) 1.780 (est)
Soluble in alcohol
Insoluble in water
Stability alkalis

Cosmetic Information

CosIngcosmetic data
Cosmetic Usesperfuming agents

Organoleptic Properties

Odor Strength high ,
Substantivity 244 hour(s) at 100.00 %
Odor Description
at 10.00 % in dipropylene glycol.
Green, aldehydic, floral and melon
almond; cherry; chocolate; cinnamon; clove; honey; hyacinth; musty; herbaceous; earthy; peach; plum; strawberry; sweet; meaty; spicy; vegetable
fresh cortex green leaf foliage balsam storax spicy cherry plum green-aldehyde floral balsamic oily-earthy warm herb
Fresh Cortex Green Leaf Green Melon Fruity
Odor sample from Berje Inc.
Taste Description
at 20.00 ppm.
green melon fruity citrus

Safety Information

Preferred SDSView
European informationMost important hazard(s):
Human Experience8 % solution: no irritation or sensitization.
Oral/Parenteral Toxicityoral-rat LD50 > 5000 mg/kg
Dermal Toxicityskin-rabbit LD50 > 5000 mg/kg
Inhalation ToxicityNot determined

GHS Classification

['GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)', 'GHS Label elements, including precautionary statements', 'U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#05219']

Safety in Use

Categoryflavor and fragrance agents
RIFM Fragrance Material Safety AssessmentSearch
Recommendation for 3-phenyl propionaldehyde usage levels up to2.0000 % in the fragrance concentrate.
Maximised Survey-derived Daily Intakes (MSDI-EU)16.00 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA)19.00 (μg/capita/day)
Structure ClassI
baked goods-
beverages(nonalcoholic)-
beverages(alcoholic)-
breakfast cereal-
cheese-
chewing gum-
condiments / relishes-
confectionery froastings-
egg products-
fats / oils-
fish products-
frozen dairy-
fruit ices-
gelatins / puddings-
granulated sugar-
gravies-
hard candy-
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-

Alfrebro LLC/ Archer Daniels Midland Company

Let's get reacquainted

Building great taste with aroma chemicals, extracts, and distillates

View All Website 513-539-7373 sforbis@alfrebro.com

Augustus Oils Ltd

The Premier Supplier

Augustus Oils Ltd, in harmony with nature - to present it at its best...

View All Website +44 (0)1420 590555 essentials@augustus-oils.ltd.uk

Axxence Aromatic GmbH

We bring nature to your flavour

Dedicated to provide the best possible quality and supply service of natural aroma ingredients.

View All Website +49.2822.68561.0 service@axxence.com

Beijing Lys Chemicals Co, LTD.

From Grams to Tons

Fine chemical high-tech company which contains R&D, production, and sales.

View All Website 86-10-68418738 jiayanyong@lyschem.com

Berje Inc.

Where the world comes to its senses

Where the world comes to its senses - Berjé is a global distributor of Essential Oils and Aromatic Chemicals.

View All Website 973-748-8980 tlauzurica@berjeinc.com

BOC Sciences

Best of Chemicals Supplier

Quality supplier of research chemicals and biochemicals including inhibitors, building blocks, GMP Products, impurities and metabolites, APIs for Veterinary, Natural Compounds, ADCs, Stem Cell Molecul...

View All Website 1-631-485-4226 account@bocsci.com

Excellentia International

Ingredients by Nature

Exceptional quality and excellence in meeting our customers requirements.

View All Website 732.749.9840 info@excellentiaint.com

Lluch Essence S.L.

A family company dedicated to sales and distribution

Flexibility, availability, price and quality.

View All Website 34 93 379 38 49 web@lluche.com

M&U International LLC

Steady supply & demand

Meeting customers increasing demands at home as well as abroad.

View All Website 908-359-9000 sales@mu-intel.com

Pell Wall Perfumes

Hand-made fragrances

Pell Wall maintains a broad palette of ingredients & in order to keep stocks fresh & the options wide we also sell from our own stock.

View All Website +44 (0) 20 3745 0887 https://pellwall.com/contact-us/

Penta International Corporation

Chemistry innovation

At Penta, our products and services help businesses do business better.

View All Website (973) 740-2300 lisaa@pentamfg.com

PerfumersWorld Ltd.

feeeel... the smell!

The one-stop resource for the creative perfumer.

View All Website +66(0)2-99-800-80 pwenquiries@perfumersworld.com

Sigma-Aldrich

Complete Supply Chain

The perfect blend of products and services that bring your creativity to life.

View All Website 800-244-1173 ff@sial.com

TCI AMERICA

Moving Your Chemistry Forward

We continuously strive to advance our technology.

View All Website 1-800-423-8616 Sales-US@TCIchemicals.com;

Tianjin Danjun International Trade Co., LTD.

Quality Products

We know the Chinese chemical market well.

View All Website +86-15822601686 songshasha@danjunchem.com

R C Treatt and Co Ltd

Innovative ingredient solutions

World-leading innovative ingredient solutions provider for the flavour, fragrance and FMCG industries.

View All Website +1 863 668 9500 enquiries@treatt.com

Ernesto Ventós S.A.

Leaders in essence

We employ our five senses to do our job well.

View All Website +1 856 226 7501 info@ventos.com

Vigon International

Passion for Simplicity

Manufacturer and supplier of high quality flavor and fragrance ingredients.

View All Website 570-476-6300 sales@vigon.com

WholeChem, LLC

Connecting Innovators To the Building Blocks Of the Universe

Custom manufacturer and distributor of specialty ingredients. We make global local.

View All Website +1 (262) 995.8668 info@wholechem.com

Potential Uses

FR acacia FR almond FR almond FR apple blossom FR balsam blossom FR carnation FR castoreum FR cherry FR cinnamon FR cucumber FR cyclamen FR hay new mown hay FR heliotrope FR honeydew FR hyacinth FR jasmin FR jonquil FR lilac FR lily FR melon FR musk FR orchid FR oriental FL plum greengage plum FR plum mirabelle plum FR reseda FR rose FR rose red rose FR sweet pea FR tobacco FR ylang ylang

Natural Occurrence

beer PMC chicken PMC cinnamon PMC marjoram wild marjoram oregon grape-holly pyrola grandiflora tomato

Synonyms

aromel givco 111 benzene propanal benzenepropanal benzyl acetaldehyde benzylacetaldehyde dihydrocinnamaldehyde dihydrocinnamic aldehyde hydrocinnamaldehyde hydrocinnamic aldehyde hydrocinnamylaldehyde 3- phenyl propanal 3- phenyl propionaldehyde beta- phenyl propionaldehyde phenyl propyl aldehyde 3- phenyl propyl aldehyde 3- phenyl-1-propanal 3- phenylpropanal 3- phenylpropionaldehyde phenylpropyl aldehyde 3- phenylpropyl aldehyde phenylpropyl aldehyde ( 3-phenylpropionaldehyde ) phenylpropylaldehyde 3- phenylpropylaldehyde propionaidehyde, 3-phenyl- PubMed: Effects of interfacial charge and the particle size of titanate nanotube-supported Pt nanoparticles on the hydrogenation of cinnamaldehyde. PubMed: Condensation reactions of 3-oxo-2-arylhydrazonopropanals with active methylene reagents: formation of 2-hydroxy- and 2-amino-6-substituted-5-arylazonicotinates and pyrido[3,2-c]cinnolines via 6π-electrocyclization reactions. PubMed: In vivo cytokine modulatory effects of cinnamaldehyde, the major constituent of leaf essential oil from Cinnamomum osmophloeum Kaneh. PubMed: Well-defined N-heterocyclic carbene silver halides of 1-cyclohexyl-3-arylmethylimidazolylidenes: synthesis, structure and catalysis in A3-reaction of aldehydes, amines and alkynes. PubMed: Reactions of a phosphinoaldehyde with Pd(II), Rh(I), and Ir(I) precursors, including the formation of complexes containing a P,OH-chelated phosphinohemiacetal ligand: a new bonding mode. PubMed: Purification and characterization of aldehyde dehydrogenase with a broad substrate specificity originated from 2-phenylethanol-assimilating Brevibacterium sp. KU1309. PubMed: Use of gas chromatography-mass spectrometry combined with resolution methods to characterize the essential oil components of Iranian cumin and caraway. PubMed: Enantioselective catalysis of the hetero-Diels-Alder reaction between Brassard's diene and aldehydes by hydrogen-bonding activation: a one-step synthesis of (S)-(+)-dihydrokawain. PubMed: SuperQuat N-acyl-5,5-dimethyloxazolidin-2-ones for the asymmetric synthesis of alpha-alkyl and beta-alkyl aldehydes. PubMed: High yield synthesis of nitriles by a new enzyme, phenylacetaldoxime dehydratase, from Bacillus sp. strain OxB-1. PubMed: Diastereoselective inter- and intramolecular pinacol coupling of aldehydes promoted by monomeric titanocene(II) complex Cp(2)TiPh. PubMed: Stopped-flow spectrophotometric analysis of intermediates in the peroxo-dependent inactivation of cytochrome P450 by aldehydes. PubMed: EPR spectrometry of cytochrome P450 2B4: effects of mutations and substrate binding. PubMed: Discrete species of activated oxygen yield different cytochrome P450 heme adducts from aldehydes. PubMed: Mechanism-based inactivation of cytochrome P450 2B4 by aldehydes: relationship to aldehyde deformylation via a peroxyhemiacetal intermediate. PubMed: Hepatic microsomal oxygenation of aldehydes to carboxylic acids. PubMed: Geometric specificity of alcohol dehydrogenases and its potential for separation of trans and cis isomers of unsaturated aldehydes. PubMed: Biosynthesis of mustard oil glucosides: conversion of phenylacetaldehyde oxime and 3-phenylpropionaldehyde oxime to glucotropaeolin and gluconasturtiin.