Articles:
| None found yet. Try the PubMed Search. |
Notes:
Flavouring ingredient
| Fragrance Demo Formulas | ||
| CAS Number: | 59558-23-5 |  3D/inchi
|
| ECHA EINECS - REACH Pre-Reg: | 261-803-1 | |
| FDA UNII: | 065NCY25ZE | |
| Nikkaji Web: | J65.651H | |
| Beilstein Number: | 3270557 | |
| MDL: | MFCD00027318 | |
| FEMA Number: | 3733 | |
| XlogP3-AA: | 5.00 (est) | |
| Molecular Weight: | 234.33874000 | |
| Formula: | C15 H22 O2 | |
| BioActivity Summary: | listing | |
| NMR Predictor: | Predict (works with chrome or firefox) | |
Category: flavor and fragrance agents
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
| Google Scholar: | Search |
| Google Books: | Search |
| Google Scholar: with word "volatile" | Search |
| Google Scholar: with word "flavor" | Search |
| Google Scholar: with word "odor" | Search |
| Perfumer and Flavorist: | Search |
| Google Patents: | Search |
| US Patents: | Search |
| EU Patents: | Search |
| Pubchem Patents: | Search |
| PubMed: | Search |
| NCBI: | Search |
| JECFA Food Flavoring: | 703 p-tolyl octanoate |
| Flavis Number: | 09.301 (Old) |
| DG SANTE Food Flavourings: | 09.301 p-tolyl octanoate |
| FEMA Number: | 3733 p-tolyl octanoate |
| FDA Mainterm: | P-TOLYL OCTANOATE |
Physical Properties:
| Appearance: | colorless clear oily liquid (est) |
| Assay: | 98.00 to 100.00 % sum of isomers |
| Food Chemicals Codex Listed: | No |
| Specific Gravity: | 0.95400 to 0.96200 @ 25.00 °C. |
| Pounds per Gallon - (est).: | 7.938 to 8.005 |
| Specific Gravity: | 0.95500 to 0.96300 @ 20.00 °C. |
| Pounds per Gallon - est.: | 7.956 to 8.022 |
| Refractive Index: | 1.48300 to 1.48700 @ 20.00 °C. |
| Boiling Point: | 250.00 °C. @ 760.00 mm Hg |
| Vapor Pressure: | 0.001000 mmHg @ 20.00 °C. |
| Vapor Density: | >1 ( Air = 1 ) |
| Flash Point: | 230.00 °F. TCC ( 110.00 °C. ) |
| logP (o/w): | 5.140 (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. |
| Soluble in: | |
| alcohol | |
| dipropylene glycol | |
| water, 1.313 mg/L @ 25 °C (est) | |
| Insoluble in: | |
| water | |
| Similar Items: note | |
| allyl octanoate | |
| amyl octanoate | |
| isoamyl octanoate | |
| benzyl octanoate | |
| butyl octanoate | |
| isobutyl octanoate | |
| citronellyl octanoate | |
| ortho-cresyl octanoate | |
| decyl octanoate | |
| ethyl 4-methyl octanoate | |
| ethyl octanoate | |
| furfuryl octanoate | |
| geranyl octanoate | |
| heptyl octanoate | |
| (E)-2-hexen-1-yl octanoate | |
| (Z)-3-hexen-1-yl octanoate | |
| hexyl octanoate | |
| linalyl octanoate | |
| 2-methyl butyl octanoate | |
| methyl octanoate | |
| nonyl octanoate | |
| octyl octanoate | |
| phenethyl octanoate | |
| propyl octanoate | |
| isopropyl octanoate | |
| sulfuryl octanoate | |
Organoleptic Properties:
| Odor Type: | animal |
| Odor Strength: | medium , recommend smelling in a 1.00 % solution or less |
| Odor Description: at 1.00 % in dipropylene glycol. | animal fecal hay ylang jasmin indole green |
| Substantivity: | 292 hour(s) at 100.00 % |
Cosmetic Information:
| CosIng: | cosmetic data |
| Cosmetic Uses: |
perfuming agents |
Safety Information:
| Most important hazard(s): | |
| Xn - Harmful. | |
|
R 22 - Harmful if swallowed. R 36/38 - Irritating to skin and eyes. S 02 - Keep out of the reach of children. S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S 36 - Wear suitable protective clothing. | |
| Human Experience: | 4 % solution: no irritation or sensitization. |
| Oral/Parenteral Toxicity: | |
|
oral-rat LD50 1600 mg/kg Food and Cosmetics Toxicology. Vol. 16, Pg. 697, 1978. | |
| Dermal Toxicity: | |
|
skin-rabbit LD50 > 5000 mg/kg Food and Cosmetics Toxicology. Vol. 16, Pg. 697, 1978. | |
| Inhalation Toxicity: | |
| Not determined | |
Safety in Use Information:
| Category: | flavor and fragrance agents | ||
| Recommendation for para-cresyl caprylate usage levels up to: | |||
| 1.0000 % in the fragrance concentrate. | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 0.024 (μg/capita/day) | ||
| Maximised Survey-derived Daily Intakes (MSDI-USA): | 1.00 (μg/capita/day) | ||
| 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: 13 | |||
| Click here to view publication 13 | |||
| average usual ppm | average maximum ppm | ||
| baked goods: | - | 5.00000 | |
| beverages(nonalcoholic): | - | 5.00000 | |
| beverages(alcoholic): | - | - | |
| breakfast cereal: | - | - | |
| cheese: | - | - | |
| chewing gum: | - | - | |
| condiments / relishes: | - | - | |
| confectionery froastings: | - | - | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | - | 5.00000 | |
| fruit ices: | - | - | |
| gelatins / puddings: | - | 5.00000 | |
| granulated sugar: | - | - | |
| gravies: | - | - | |
| hard candy: | - | - | |
| imitation dairy: | - | - | |
| instant coffee / tea: | - | - | |
| jams / jellies: | - | - | |
| meat products: | - | 5.00000 | |
| milk products: | - | - | |
| nut products: | - | - | |
| other grains: | - | - | |
| poultry: | - | - | |
| processed fruits: | - | - | |
| processed vegetables: | - | - | |
| reconstituted vegetables: | - | - | |
| seasonings / flavors: | - | - | |
| snack foods: | - | - | |
| soft candy: | - | 5.00000 | |
| soups: | - | - | |
| sugar substitutes: | - | - | |
| sweet sauces: | - | - | |
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): | |
| Opinion of the Scientific Panel on food additives, flavourings, processing aids and materials in contact with food (AFC) related to Flavouring Group Evaluation 22 (FGE.22): Ring-substituted phenolic substances from chemical groups 21 and 25 (Commission Regulation (EC) No 1565/2000 of 18 July 2000) View page or View pdf | |
| Flavouring Group Evaluation 58 (FGE.58) Consideration of phenol derivatives evaluated by JECFA (55th meeting) structurally related to ring substituted phenolic substances evaluated by EFSA in FGE.22 (2006) (Commission Regulation (EC) No 1565/2000 of 18 July 2000) - Opinion of the Scientific Panel on Food Additives, Flavourings, Processing Aids and Materials in contact with Food (AFC) View page or View pdf | |
| Scientific Opinion on Flavouring Group Evaluation 22, Revision 1 (FGE.22Rev1): Ring-substituted phenolic substances from chemical groups 21 and 25 View page or View pdf | |
| EPI System: | View |
| EPA Substance Registry Services (TSCA): | 59558-23-5 |
| EPA ACToR: | Toxicology Data |
| EPA Substance Registry Services (SRS): | Registry |
| Laboratory Chemical Safety Summary : | 43046 |
| National Institute of Allergy and Infectious Diseases: | Data |
| WGK Germany: | 2 |
| (4-methylphenyl) octanoate | |
| Chemidplus: | 0059558235 |
| RTECS: | RH0787500 for cas# 59558-23-5 |
References:
| (4-methylphenyl) octanoate | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 59558-23-5 |
| Pubchem (cid): | 43046 |
| Pubchem (sid): | 135006282 |
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 |
| FDA Everything Added to Food in the United States (EAFUS): | View |
| HMDB (The Human Metabolome Database): | HMDB37710 |
| FooDB: | FDB016838 |
| Export Tariff Code: | 2916.39.7900 |
| ChemSpider: | View |
Potential Blenders and core components note
Potential Uses:
| absinthe | FL | |
| amaryllis | FR | |
| ambergris | FR | |
| animal | FR | |
| ash mountain ash | FR | |
| ash mountain ash berry | FR | |
| autumn | FR | |
| bark | FR | |
| boxwood | FR | |
| cade oil replacer | FR | |
| castoreum | FR | |
| champaca | FR | |
| cheese blue cheese | FL | |
| cheese camembert cheese | FL | |
| cheese roquefort cheese | FL | |
| cherry | FR | |
| civet | FR | |
| costus | FR | |
| daffodil | FR | |
| dahlia | FR | |
| daphne | FR | |
| enhancer | ||
| evergreen | FR | |
| fagonia | FR | |
| fecal | ||
| fern | FR | |
| fig | FR | |
| foliage | FR | |
| fruit dried fruit | ||
| galangal root | FL/FR | |
| gardenia | FR | |
| hay new mown hay | FR | |
| honeysuckle | FR | |
| hyacinth | FR | |
| ivy | FR | |
| jasmin | FR | |
| jonquil | FR | |
| leather | FR | |
| lilac | FR | |
| lily | FR | |
| lily of the valley | FR | |
| mango flower | FR | |
| marigold | FL/FR | |
| millefleurs | FR | |
| mimosa | FR | |
| moss | FR | |
| narcissus | FR | |
| oakwood | FR | |
| ocean sea | FR | |
| orange blossom | FR | |
| peony | FR | |
| floral | FR | |
| petunia | FR | |
| poppy | FR | |
| privet | FR | |
| privet blossom | FR | |
| reseda | FR | |
| rose | FR | |
| scented stock | FR | |
| smoke | FL | |
| spikenard oil replacer | FR | |
| stephanotis | FR | |
| sweet pea | FR | |
| tea | FL | |
| tobacco | FR | |
| tulip | FR | |
| wallflower | FR | |
| white shoulders | ||
| wisteria | FR | |
| wormwood oil replacer | FR | |
| yerba mate | FL/FR | |
| ylang ylang | FR |
Occurrence (nature, food, other): note
| not found in nature |
Synonyms:
| p- | cresyl caprylate |
| para- | cresyl caprylate |
| p- | cresyl capyrlate |
| p- | cresyl octanoate |
| para- | cresyl octanoate |
| cresyl octanoate, p- | |
| 4- | methyl phenyl octanoate |
| para- | methyl phenyl octanoate |
| 4- | methylphenyl octanoate |
| p- | methylphenyl octanoate |
| methylphenyl octanoate, p- | |
| (4- | methylphenyl) octanoate |
| narcissin K | |
| octanoic acid 4-methyl phenyl ester | |
| octanoic acid 4-methylphenyl ester | |
| octanoic acid p-tolyl ester | |
| N- | octanoic acid p-tolyl ester |
| octanoic acid para-tolyl ester | |
| octanoic acid, 4-methylphenyl ester | |
| octanoic acid, p-tolyl ester | |
| p- | tolyl caprylate |
| p- | tolyl n-octanoate |
| p- | tolyl octanoate |
| para- | tolyl octanoate |
| tolyl octanoate, p- |