para-tolualdehyde
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Fragrance Demo Formulas    Flavor Demo Formulas
4-methylbenzaldehyde (Click)
CAS Number: 104-87-0
ECHA EC Number:203-246-9
FDA UNII:GAX22QZ28Q
Beilstein Number: 0385772
MDL: MFCD00006954
FEMA Number: 3068
CoE Number: 115
XlogP3: 2.10 (est)
Molecular Weight: 120.15096000
Formula: C8 H8 O
BioActivity Summary: listing
NMR Predictor: Predict
Category: flavor and fragrance agents
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
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IBM Patents: Obtain
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NCBI: Search
Flavis Number: 05.029 (Old)
EU SANCO Food Flavourings: 05.029  p-tolualdehyde

FEMA Number: 3068  p-tolualdehyde
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Physical Properties:
Appearance: pale yellow clear oily liquid (est)
Assay: 97.00 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 to  205.00 °C. @ 760.00 mm Hg
Acid Value: 2.00 max. KOH/g
Vapor Pressure: 0.263000 mm/Hg @ 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.
Storage: store under nitrogen.
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Organoleptic Properties:
Odor Type: fruity
Odor Strength: high ,
recommend smelling in a 5.00 % solution or less
Odor Description:
at 5.00 % in dipropylene glycol. 
fruity cherry deep phenolic
Substantivity: 120 Hour(s)
  
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Cosmetic Information:
CosIng: cosmetic data
Cosmetic Uses: masking agents
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Safety Information:
Most important hazard(s):
Xn - Harmful.
  R 22 - Harmful if swallowed.
R 36/37/38 - Irritating to eyes, respiratory system, and skin.
S 02 - Keep out of the reach of children.
S 20/21 - When using do not eat, drink or smoke.
S 24/25 - Avoid contact with skin and eyes.
S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S 37/39 - Wear suitable gloves and eye/face protection.
Oral/Parenteral Toxicity:
  oral-rat LD50  1600 mg/kg
BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
National Technical Information Service. Vol. OTS0533443

intraperitoneal-rat LD50  800 mg/kg
BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
National Technical Information Service. Vol. OTS0533443

oral-mouse LD50  3200 mg/kg
BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
National Technical Information Service. Vol. OTS0533443

intraperitoneal-mouse LD50  400 mg/kg
BEHAVIORAL: ATAXIA BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) SKIN AND APPENDAGES (SKIN): HAIR: OTHER
National Technical Information Service. Vol. OTS0533443

Dermal Toxicity:
  skin-rat LD50 2500 mg/kg
National Technical Information Service. Vol. OTS0533443

Inhalation Toxicity:
  inhalation-rat LC > 2200 mg/m3
National Technical Information Service. Vol. OTS0533443

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Safety in Use Information:
Category: flavor and fragrance agents
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 Concern:1800 (μg/person/day)
Structure Class: I
Recommendation for para-tolualdehyde usage levels up to:
  0.8000 % in the fragrance concentrate.
 
Food categories according to Commission Regulation EC No. 1565/2000 (EC, 2000) in FGE.06 (EFSA, 2002a). According to the Industry the "normal" use is defined as the average of reported usages and "maximum use" is defined as the 95th percentile of reported usages (EFSA, 2002i).
Note: mg/kg = 0.001/1000 = 0.000001 = 1/1000000 = ppm.
 average usage mg/kgmaximum usage mg/kg
Dairy products, excluding products of category 02.0 (01.0): 15.0300017.74000
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): 56.26000111.20000
Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0): --
Bakery wares (07.0): 25.8200033.56000
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): 9.9100013.29000
Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2): 6.2300012.70000
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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Safety References:
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):
Scientific Opinion on Flavouring Group Evaluation 20, Revision 4 (FGE.20Rev4): Benzyl alcohols, benzaldehydes, a related acetal, benzoic acids, and related esters from chemical groups 23 and 30
page or pdf
EPI System: View
Chemicalize.org: Calculate predicted properties
NLM Hazardous Substances Data Bank: Search
Chemical Carcinogenesis Research Information System: Search
Toxicology Citations: Search
Env. Mutagen Info. Center: Search
EPA Substance Registry Services (TSCA): 104-87-0
EPA ACToR: Toxicology Data
National Institute of Allergy and Infectious Diseases: Data
WGK Germany:1
 4-methylbenzaldehyde
DTP/NCI: 2224
Chemidplus: 0000104870
RTECS: CU7034500 for cas# 104-87-0
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References:
 4-methylbenzaldehyde
NIST Chemistry WebBook: Search Inchi
Canada Domestic Sub. List: 104-87-0
Pubchem (cid): 7725
Pubchem (sid): 134970670
Pherobase Floral: View
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Other Information:
(IUPAC): Atomic Weights of the Elements 2009
(IUPAC): Atomic Weights of the Elements 2009 (pdf)
Videos: The Periodic Table of Videos
tgsc: Atomic Weights use for this web site
(IUPAC): Periodic Table of the Elements
CHEBI: View
CHEMBL: View
Metabolomics Database: Search
UM BBD: Search
Export Tariff Code: 2912.29.0090
Haz-Map: View
VCF-Online: VCF Volatile Compounds in Food
ChemSpider: View
Wikipedia: View
RSC Learn Chemistry: View
Formulations/Preparations:
grades: technical; pure.
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Potential Blenders and core components note
para-acetanisoleFL/FR
2-acetyl-5-methyl furanFL/FR
 allyl 2-ethyl butyrateFL/FR
 allyl benzoateFR
 allyl isovalerateFL/FR
bitter almond oilFL/FR
isoamyl 2-methyl butyrateFL/FR
isoamyl acetateFL/FR
 amyl butyrateFL/FR
isoamyl butyrateFL/FR
isoamyl formateFL/FR
para-anisaldehydeFL/FR
 anise seed oil colombiaFL/FR
para-anisyl acetateFL/FR
para-anisyl nitrileFR
para-anisyl propionateFL/FR
 benzaldehydeFL/FR
 benzaldehyde / methyl anthranilate schiff's baseFR
 benzaldehyde glycrol acetalFL/FR
siam benzoin resinoidFL/FR
 benzyl acetateFL/FR
 benzyl cinnamateFL/FR
 benzyl formateFL/FR
 benzyl isoeugenolFL/FR
 benzyl propionateFL/FR
 benzyl salicylateFL/FR
 bread thiopheneFL/FR
isobutyl benzoateFL/FR
isobutyl propionateFL/FR
 butyrophenoneFL/FR
 cassia bark oil chinaFL/FR
 cherry oxyacetateFL/FR
 cherry pentenoateFL/FR
 cherry propanolFL/FR
 cinnamaldehydeFL/FR
 cinnamon bark oil ceylonFL/FR
 cinnamon leaf oil ceylonFL/FR
 cinnamyl alcoholFL/FR
 cinnamyl isovalerateFL/FR
 clove bud oilFL/FR
 cyclohexyl cinnamateFL/FR
 cyclohexyl formateFL/FR
 cyclohexyl isovalerateFL/FR
 decyl formateFR
 dihydrojasmoneFL/FR
 dimethyl anthranilateFL/FR
2,4-dimethyl benzaldehydeFL/FR
 dimethyl benzyl carbinyl butyrateFL/FR
 ethyl 2-phenyl-3-furoateFL
 ethyl acetateFL/FR
 ethyl acetoacetateFL/FR
 ethyl benzoateFL/FR
 ethyl benzoyl acetateFL/FR
 ethyl butyrateFL/FR
 ethyl cinnamateFL/FR
 ethyl formateFL/FR
 ethyl heptanoateFL/FR
 ethyl maltolFL/FR
 ethyl methyl-para-tolyl glycidateFL/FR
 ethyl nonanoateFL/FR
 ethyl phenyl acetateFL/FR
 ethyl propionateFL/FR
 ethyl valerateFL/FR
 ethyl vanillinFL/FR
 eugenolFL/FR
 geranium oil bourbonFL/FR
 geranyl propionateFL/FR
 heliotropinFL/FR
 heliotropyl acetoneFL/FR
 heliotropyl alcoholFL/FR
 heptyl butyrateFL/FR
 heptyl isobutyrateFL/FR
2'-hydroxyacetophenoneFL/FR
 jasmin absolute egypt (from concrete)FL/FR
 lemon oil c.p. californiaFL/FR
 linalyl isobutyrateFL/FR
 maltolFL/FR
(E)-para-methoxycinnamaldehydeFL/FR
para-methoxycinnamaldehydeFL/FR
 methyl (E)-cinnamateFL/FR
 methyl cinnamateFL/FR
 methyl furfuracrylateFL
3-methyl-2-butenalFL/FR
 nutty cyclohexenoneFL/FR
 octyl heptanoateFL/FR
 octyl hexanoateFL/FR
sweet orange peel oil c.p. brazilFL/FR
laevo-perillaldehydeFL/FR
 petitgrain oil paraguayFL/FR
 phenethyl formateFL/FR
 phenethyl isobutyrateFL/FR
3-phenyl propionaldehydeFL/FR
 phthalideFL/FR
 allspice berry oilFL/FR
 powdery ketoneFL
 propyl acetateFL/FR
 raspberry ketoneFL/FR
 raspberry ketone methyl etherFL/FR
 rhodinyl formateFL/FR
 rhodinyl isovalerateFL/FR
 rose absolute (rosa damascena) bulgariaFL/FR
 strawberry glycidate 1 (aldehyde C-16 (so-called))FL/FR
 styrax resinoid (liquidambar styraciflua)FL/FR
 terpinyl butyrateFL/FR
 tonka furanoneFL/FR
gamma-undecalactone (aldehyde C-14 (so-called))FL/FR
para-vanillic acidFL/FR
 vanillinFL/FR
 vanillyl acetateFL/FR
 vanillylidene acetoneFL/FR
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Potential Uses:
 aldehydicFR
 almondFR
 almond bitterFL/FR
 almond blossom 
 berry jamFR
 blackberryFR
 bouquetFR
 cherryFR
 cherry blackFR
 cherry blossomFR
 cherry brandyFL
 cherry maraschinoFL
 cherry wildFL
 chocolate cocoa 
 crabapple blossomFR
 cranberryFR
 currant redFR
 frangipanni plumeriaFR
 fruitFR
 fruit jam 
 fruit juicy fruit 
 fruit punch 
 fruit tropical fruit 
 hawthornFR
 hay new mown hay foin coupeFR
 heliotropeFR
 hibiscusFR
 licorice red licorice 
 lilac lilas syringaFR
 marigold tageteFL/FR
 mimosaFR
 mulberryFR
 papayaFR
 passion fruitFR
 pepper 
 plumFR
 plum blossom 
 plum brandy 
 powderFR
 rose wild rose 
 sweet peaFR
 tropicalFL
 valerianFL/FR
 vanillaFR
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Natural Occurrence in: note
 featherfew leaf oil @ trace%
Data  GC  GRIN Trop Picture
 ficus condensa
GRIN Trop Picture
 ficus deltoidea
GRIN Trop Picture
 honey - up to 0.004 mg/kg
 tea - up to 0.3 mg/kg
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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
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click on the picture(s) below to
interact with the 3D model
Picture of molecule
Similar Items: note
meta-tolualdehyde
ortho-tolualdehyde
tolualdehydes (mixed o/m/p)
Soluble in:
 alcohol
 water, 2270 mg/L @ 25 °C (exp)
Insoluble in:
 water
Stability:
 non-discoloring in most media
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