para-tolualdehyde

p-cresyl aldehyde

CAS: 104-87-0 C8 H8 O MW: 120.15096000 fruity spicy

Identification

Namepara-tolualdehyde
IUPAC4-methylbenzaldehyde
CAS Number104-87-0
EINECS203-246-9
FDA UNIIGAX22QZ28Q
Molecular FormulaC8 H8 O
Molecular Weight120.15096000
MDL NumberMFCD00006954
Nikkaji NumberJ5.036I
Beilstein0385772
CoE Number115
XlogP32.10 (est)

Regulatory

DG SANTE Food Flavourings05.029 p-tolualdehyde

Physical Properties

Appearance pale yellow clear oily liquid (est)
Assay 95.00 to 100.00
Food Chemicals Codex Listed No
Specific Gravity 1.01200 to 1.01800 @ 25.00 °C.
Pounds per Gallon - (est). 8.421 to 8.471
Refractive Index 1.54200 to 1.54800 @ 20.00 °C.
Optical Rotation -2.00 to +1.00
Melting Point -6.00 °C. @ 760.00 mm Hg
Boiling Point 204.00 °C. @ 760.00 mm Hg
Acid Value 2.00 max. KOH/g
Vapor Pressure 0.263000 mmHg @ 25.00 °C.
Vapor Density 4.2 ( Air = 1 )
Flash Point 176.00 °F. TCC ( 80.00 °C. )
logP (o/w) 2.100 (est)
Shelf Life 24.00 month(s) or longer if stored properly.
Storage store in cool, dry place in tightly sealed containers, protected from heat and light. store under nitrogen., store under nitrogen.
Soluble in alcohol
Stability non-discoloring in most media
Similar Items note

Cosmetic Information

CosIngcosmetic data
Cosmetic Usesfragrance

Organoleptic Properties

Odor Strength high ,
Substantivity 120 hour(s) at 100.00 %
Odor Description at 5.00 % in dipropylene glycol.
Odor sample from Ungerer & Company, Inc.
Taste Description sweet spicy cinnamon fruity bitter almond

Safety Information

Preferred SDSView
European informationMost important hazard(s):
Oral/Parenteral Toxicityoral-rat LD50 1600 mg/kg
Dermal Toxicityskin-rat LD50 2500 mg/kg
Inhalation Toxicityinhalation-rat LC > 2200 mg/m3

GHS Classification

['GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)', 'GHS Label elements, including precautionary statements']

Safety in Use

Categoryflavor and fragrance agents
RIFM Fragrance Material Safety AssessmentSearch
IFRA Critical EffectDermal sensitization
IFRA RESTRICTION LIMITS IN THE FINISHED PRODUCT (%)Category 1: Products applied to the lips
NotesIFRA FLAVOR REQUIREMENTS:
Maximised Survey-derived Daily Intakes (MSDI-EU)160.00 (μg/capita/day)
Modified Theoretical Added Maximum Daily Intake (mTAMDI)9100 (μg/person/day)
Threshold of Concern1800 (μg/person/day)
Structure ClassI
Dairy products, excluding products of category 02.0 (01.0)15.03000
Fats and oils, and fat emulsions (type water-in-oil) (02.0)-
Edible ices, including sherbet and sorbet (03.0)-
Processed fruit (04.1)-
Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2)-
Confectionery (05.0)56.26000
Chewing gum (05.3)-
Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0)-
Bakery wares (07.0)25.82000
Meat and meat products, including poultry and game (08.0)-
Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0)-
Eggs and egg products (10.0)-
Sweeteners, including honey (11.0)-
Salts, spices, soups, sauces, salads, protein products, etc. (12.0)-
Foodstuffs intended for particular nutritional uses (13.0)-
Non-alcoholic ("soft") beverages, excl. dairy products (14.1)9.91000
Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2)6.23000
Ready-to-eat savouries (15.0)-
Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0)-

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Potential Uses

FR aldehydic FR almond FR almond FR almond blossom FR berry jam FR blackberry FR bouquet FL brandy cherry brandy FR cherry FR cherry black cherry FR cherry blossom FL cherry maraschino cherry FL cherry wild cherry FL chocolate cocoa FR crabapple blossom FR cranberry FR currant red currant FR frangipani plumeria FR fruit fruit jam FR fruit juicy fruit FL fruit punch FL fruit tropical fruit FR hawthorn FR hay new mown hay FR heliotrope FR hibiscus FL licorice red licorice FR lilac FL/FR marigold FR mimosa FR mulberry FR papaya FR passion fruit FR pepper FR plum FR plum blossom FL brandy plum brandy FR powder rose wild rose FR sweet pea FL tropical FL/FR valerian FR vanilla

Natural Occurrence

caraway seed coffee PMC featherfew leaf oil @ trace% Data ficus condensa ficus deltoidea honey - up to 0.004 mg/kg PMC tea - up to 0.3 mg/kg tomato

Synonyms

benzaldehyde, 4-methyl- p- cresyl aldehyde para- cresyl aldehyde p- formyl toluene para- formyl toluene p- formyltoluene para- formyltoluene 4- methyl benzaldehyde p- methyl benzaldehyde para- methyl benzaldehyde 4- methylbenzaldehyde p- methylbenzaldehyde para- methylbenzaldehyde p- methylbenzaldehyde R 4- tolualdehyde p- tolualdehyde p- toluyl aldehyde para- toluyl aldehyde 4- toluylaldehyde p- toluylaldehyde p- tolyl aldehyde para- tolyl aldehyde para- tolyl aldehyde extra tolyl aldehyde para p- tolylaldehyde US Patents: 8,188,023 - 4-alkyl cyclohexanepropanal compounds and their use in perfume compositions PubMed: Anti-allergic inflammatory activities of compounds of amomi fructus. PubMed: Optical, vibrational, NBO, first-order molecular hyperpolarizability and Hirshfeld surface analysis of a nonlinear optical chalcone. PubMed: Evaluation of benzaldehyde derivatives from Morinda officinalis as anti-mite agents with dual function as acaricide and mite indicator. PubMed: A determinant of odorant specificity is located at the extracellular loop 2-transmembrane domain 4 interface of an Anopheles gambiae odorant receptor subunit. PubMed: Experimental and DFT studies on the vibrational and electronic spectra of 9-p-tolyl-9H-carbazole-3-carbaldehyde. PubMed: Chiral sulfoxides in the enantioselective allylation of aldehydes with allyltrichlorosilane: a kinetic study. PubMed: Synthesis of aryl group-modified DIOP dioxides (Ar-DIOPOs) and their application as modular Lewis base catalysts. PubMed: Identification and synthesis of by-products found in 4-methylthioamphetamine (4-MTA) produced by the Leuckart method. PubMed: Photoprotecting action and phytochemical analysis of a multiple radical scavenger lipophilic fraction obtained from the leaf of the seagrass Thalassia testudinum. PubMed: Synthesis and antiviral evaluation of new N-acylhydrazones containing glycine residue. PubMed: Probing the catalytic potential of chloro nitrosyl rhenium(I) complexes. PubMed: Picolylamine as an organocatalyst template for highly diastereo- and enantioselective aqueous aldol reactions. PubMed: Mono(NCN-pincer palladium)-metalloporphyrin catalysts: evidence for supramolecular bimetallic catalysis. PubMed: Simultaneous production of p-tolualdehyde and hydrogen peroxide in photocatalytic oxygenation of p-xylene and reduction of oxygen with 9-mesityl-10-methylacridinium ion derivatives. PubMed: 4-Formyl-3-p-tolyl-sydnone. PubMed: Possible anti-oxidant and neuroprotective mechanisms of zolpidem in attenuating typical anti-psychotic-induced orofacial dyskinesia: a biochemical and neurochemical study. PubMed: A new synthesis of 2-sulfanyl allylic alcohols and alpha-sulfanyl ketones from carbonyl compounds and 1-chloroalkyl p-tolyl sulfoxides with carbon-carbon bond-formation. PubMed: Photochemistry of 2-alkoxymethyl-5-methylphenacyl chloride and benzoate. PubMed: Phenols and lignans from Chenopodium album. PubMed: Rh(I)-catalyzed cyclization of 1-arylprop-2-yn-1-ol derivatives utilizing rhodium 1,4-migration. PubMed: A general method for the preparation of N-sulfonyl aldimines and ketimines. PubMed: Development of new synthetic methods with aryl 1-chlorovinyl sulfoxides. PubMed: Reaction of magnesium alkylidene carbenoids with lithium alpha-sulfonyl carbanions: a novel synthesis of tri- and tetra-substituted allenes from 1-chlorovinyl p-tolyl sulfoxides and sulfones. PubMed: [A study on chemical constituents in the herb of Mentha spicata]. PubMed: More potent inhibition of human CYP2A6 than mouse CYP2A5 enzyme activities by derivatives of phenylethylamine and benzaldehyde. PubMed: Direct observation of aldehyde insertion into rhodium-aryl and -alkoxide complexes. PubMed: A new and efficient method for the selective olefination of aldehydes with ethyl diazoacetate catalyzed by an iron(II) porphyrin complex. PubMed: Alcohol and Aldehyde Adducts of Zinc Thiolates: Structural Modeling of Alcoholdehydrogenase. PubMed: Total synthesis of (-)-incrustoporin. PubMed: Extremely Efficient Chiral Induction in Conjugate Additions of p-Tolyl alpha-Lithio-beta-(trimethylsilyl)ethyl Sulfoxide and Subsequent Electrophilic Trapping Reactions. PubMed: Total Synthesis of (-)-Maytansinol. PubMed: Oxidation of tolualdehydes to toluic acids catalyzed by cytochrome P450-dependent aldehyde oxygenase in the mouse liver. PubMed: Identification of vertebrate volatiles stimulating olfactory receptors on tarsus I of the tick Amblyomma variegatum Fabricius (Ixodidae). I. Receptors within the Haller's organ capsule. PubMed: Beclobrinic acid--a new hypolipidemic agent--inhibits in vitro human platelet activation by blocking prostaglandin synthesis. PubMed: Interaction of 4-methylbenzaldehyde with rabbit pulmonary cytochrome P-450 in the intact animal, microsomes, and purified systems. Destructive and protective reactions. PubMed: Thermal oxidative degradation studies of phosphate esters.