para-cresyl caprylate
 
Notes:
Flavouring ingredient
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Fragrance Demo Formulas
(4-methylphenyl) octanoate (Click)
CAS Number: 59558-23-5Picture of molecule
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
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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 mm/Hg @ 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
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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 %
  
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Cosmetic Information:
CosIng: cosmetic data
Cosmetic Uses: perfuming agents
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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
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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 ppmaverage 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: --
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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):
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
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References:
 (4-methylphenyl) octanoate
NIST Chemistry WebBook: Search Inchi
Canada Domestic Sub. List: 59558-23-5
Pubchem (cid): 43046
Pubchem (sid): 135006282
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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
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
Synonyms   Articles   Notes   Search   Top
Potential Blenders and core components note
 
For Odor
No odor group found for these
(Z)-oleyl alcoholFR
aldehydic
10-undecenal (aldehyde C-11 undecylenic)FL/FR
amber
 amber furanFR
 ambergris naphtholFR
alpha-ambrinolFL/FR
 ambrinolFR
 ambroxanFL/FR
 cistus ladaniferus resinoidFR
 labdanum gum extract ethyl esterFR
animal
 animal carbolactoneFR
 animal fragranceFR
isobutyl quinolineFR
isobutyl quinolineFR
 civet (natural)FL/FR
 civet absoluteFL/FR
 civet absolute replacerFR
 civet resinoidFR
 costus valerolactoneFR
para-cresyl isobutyrateFL/FR
para-cresyl phenyl acetateFL/FR
 indolallFR
 indoleFL/FR
 indoletalFR
6-methyl quinolineFL/FR
para-methyl tetrahydroquinolineFL/FR
 piperidineFL/FR
 skatoleFL/FR
1-oxaspiro-4,7-dodecaneFR
balsamic
 amyl phenyl acetateFL/FR
 amyris wood oilFL/FR
siam benzoin resinoidFL/FR
 benzyl cinnamateFL/FR
 benzyl salicylateFL/FR
isobutyl cinnamateFL/FR
 clover nitrileFR
 ethyl cinnamateFL/FR
 guaiyl butyrateFR
 methyl cinnamateFL/FR
 opoponax oil (balsamodendron kafal)FL/FR
 opoponax resinoid (balsamodendron kafal)FR
3-phenyl propyl alcoholFL/FR
berry
 raspberry ketone methyl etherFL/FR
caramellic
 immortelle absoluteFL/FR
cereal
 bran absoluteFR
chocolate
isoamyl phenyl acetateFL/FR
citrus
10-undecen-1-olFL/FR
 verbena absolute franceFL/FR
coconut
gamma-heptalactoneFL/FR
coumarinic
 tonka furanoneFL/FR
earthy
 muscogeneFR
3-octen-2-oneFL/FR
ethereal
 propyl valerateFL/FR
fatty
 decanolFL/FR
delta-juniper lactoneFL/FR
floral
alpha-amyl cinnamaldehydeFL/FR
isoamyl geranateFR
isoamyl salicylateFL/FR
para-anisyl nitrileFR
 boronia butenalFR
isobutyl salicylateFL/FR
 citronellolFL/FR
para-cresyl acetateFL/FR
9-decen-1-olFL/FR
 ethyl phenyl acetateFL/FR
 floral pyranolFR
 geraniolFL/FR
 heliotropinFL/FR
(Z)-3-hexen-1-yl salicylateFL/FR
alpha-hexyl cinnamaldehydeFL/FR
 hyacinth etherFR
 ocean propanalFL/FR
 orris pyridine 25% IPMFR
 phenethyl alcoholFL/FR
 phenethyl phenyl acetateFL/FR
 phenethyl salicylateFL/FR
 rhodinolFL/FR
(E)-2,5,9-trimethyl-4,9-decadien-1-alFR
 violet methyl carbonateFR
fresh
10-undecen-1-yl acetateFL/FR
fruity
 cherry oxyacetateFL/FR
beta-damasconeFL/FR
 linalyl hexanoateFL/FR
 phenoxyethyl propionateFL/FR
 prenyl tiglate 
green
 cortex pyridineFL/FR
para-dimethyl hydroquinoneFL/FR
 diphenyl oxideFL/FR
 magnolia flower oilFL/FR
 methyl heptine carbonateFL/FR
 narcissus flower absoluteFR
 phenyl acetaldehydeFL/FR
3-phenyl propionaldehydeFL/FR
3,5,5-trimethyl hexanolFL/FR
 valerian rhizome oil CO2 extract chinaFL/FR
hay
 beeswax absoluteFL/FR
 hay absoluteFR
para-methyl phenoxyacetaldehydeFR
 tobacco leaf absoluteFL/FR
 woodruff absoluteFR
herbal
 acorn acetateFR
 clary sage absoluteFL/FR
 daucus carota fruit oilFL/FR
 petitgrain heptaneFR
beta-pineneFL/FR
laevo-beta-pineneFL/FR
 valerian rhizome oilFL/FR
 yerba mate absoluteFL/FR
leathery
 castoreum absoluteFL/FR
marine
 marine pyridineFR
mossy
 oakmoss phenolFR
 veramoss (IFF)FR
musk
(3alpha,5alpha)-androst-16-en-3-olFR
(Z)-civet decenoneFL/FR
 ethylene dodecanoateFR
 exaltone (Firmenich)FR
 juniper lactoneFL/FR
delta-muscenoneFR
 musk dimethyl indaneFL/FR
 musk lactoneFR
 musk nonaneFR
(Z)-musk pentaneFR
omega-pentadecalactoneFL/FR
naphthyl
beta-naphthyl ethyl etherFL/FR
nutty
2-acetyl-5-methyl furanFL/FR
phenolic
ortho-guaiacolFL/FR
powdery
para-anisyl alcoholFL/FR
spicy
 carvacrolFL/FR
black currant bud absoluteFL/FR
isoeugenyl acetateFL/FR
terpenic
D-(+)-beta-pineneFL/FR
thujonic
 armoise oilFR
tobacco
para-cresyl isovalerateFL/FR
tonka
 coumarinFR
 flouve absoluteFR
 saffron resinoidFL/FR
 tonka bean absoluteFR
vanilla
 vanilla bean absolute (vanilla planifolia)FL/FR
 vanillyl acetateFL/FR
waxy
 decyl acetateFL/FR
 ethyl laurateFL/FR
woody
 cedarwood oil virginiaFR
 cistus twig/leaf oilFL/FR
 guaiacwood oilFL/FR
 methyl cedryl ketoneFL/FR
 patchouli ethanoneFR
 santallFR
 spikenard oilFL/FR
 tobacarol (IFF)FR
 woody acetateFR
 woody propanolFR
 
For Flavor
 
No flavor group found for these
 amyl phenyl acetateFL/FR
 cistus twig/leaf oilFL/FR
2,6-dimethoxy-4-vinyl phenolFL
 linalyl hexanoateFL/FR
 magnolia flower oilFL/FR
4-methyl cyclohexanoneFL
para-methyl tetrahydroquinolineFL/FR
laevo-beta-pineneFL/FR
D-(+)-beta-pineneFL/FR
 piperidineFL/FR
 prenyl tiglate 
 propyl valerateFL/FR
 skatoleFL/FR
 spikenard oilFL/FR
 tonka furanoneFL/FR
10-undecen-1-olFL/FR
beta-damasconeFL/FR
amber
alpha-ambrinolFL/FR
animal
 civet (natural)FL/FR
 civet absoluteFL/FR
 indoleFL/FR
6-methyl quinolineFL/FR
aromatic
para-cresyl acetateFL/FR
para-cresyl isobutyrateFL/FR
balsamic
siam benzoin resinoidFL/FR
 benzyl salicylateFL/FR
isobutyl cinnamateFL/FR
 ethyl cinnamateFL/FR
 opoponax oil (balsamodendron kafal)FL/FR
berry
 raspberry ketone methyl etherFL/FR
brown
 beeswax absoluteFL/FR
cherry
 heliotropinFL/FR
citrus
 verbena absolute franceFL/FR
cooling
isobutyl salicylateFL/FR
creamy
3-octen-2-oneFL/FR
fatty
delta-juniper lactoneFL/FR
10-undecenal (aldehyde C-11 undecylenic)FL/FR
floral
isoamyl phenyl acetateFL/FR
 citronellolFL/FR
 geraniolFL/FR
 ocean propanalFL/FR
 phenethyl alcoholFL/FR
 rhodinolFL/FR
fruity
para-anisyl alcoholFL/FR
 cherry oxyacetateFL/FR
 valerian rhizome oilFL/FR
 valerian rhizome oil CO2 extract chinaFL/FR
grassy
 tobacco leaf absoluteFL/FR
greasy
10-undecen-1-yl acetateFL/FR
green
isoamyl salicylateFL/FR
 clary sage absoluteFL/FR
 cortex pyridineFL/FR
para-dimethyl hydroquinoneFL/FR
 diphenyl oxideFL/FR
(Z)-3-hexen-1-yl salicylateFL/FR
 immortelle absoluteFL/FR
 methyl heptine carbonateFL/FR
3-phenyl propionaldehydeFL/FR
3,5,5-trimethyl hexanolFL/FR
herbal
 daucus carota fruit oilFL/FR
 yerba mate absoluteFL/FR
honey
 ethyl phenyl acetateFL/FR
 phenethyl phenyl acetateFL/FR
 phenyl acetaldehydeFL/FR
lactonic
gamma-heptalactoneFL/FR
leathery
 castoreum absoluteFL/FR
medicinal,
 phenethyl salicylateFL/FR
musk
(Z)-civet decenoneFL/FR
 juniper lactoneFL/FR
 musk dimethyl indaneFL/FR
nutty
2-acetyl-5-methyl furanFL/FR
orris
 costus root oilFL
phenolic
para-cresyl isovalerateFL/FR
para-cresyl phenyl acetateFL/FR
pine
beta-pineneFL/FR
powdery
beta-naphthyl ethyl etherFL/FR
roasted
 ethyl 3-(furfuryl thio) propionateFL
spicy
 benzyl cinnamateFL/FR
 carvacrolFL/FR
black currant bud absoluteFL/FR
isoeugenyl acetateFL/FR
 methyl cinnamateFL/FR
3-phenyl propyl alcoholFL/FR
sweet
 saffron resinoidFL/FR
tropical
alpha-amyl cinnamaldehydeFL/FR
vanilla
omega-pentadecalactoneFL/FR
 vanilla bean absolute (vanilla planifolia)FL/FR
 vanillyl acetateFL/FR
waxy
 decanolFL/FR
9-decen-1-olFL/FR
 decyl acetateFL/FR
 ethyl laurateFL/FR
alpha-hexyl cinnamaldehydeFL/FR
 phenoxyethyl propionateFL/FR
woody
 ambroxanFL/FR
 amyris wood oilFL/FR
ortho-guaiacolFL/FR
 guaiacwood oilFL/FR
 methyl cedryl ketoneFL/FR
 
Synonyms   Articles   Notes   Search   Top
Potential Uses:
 absinthe 
 amaryllis 
 ambergrisFR
 animalFR
 ash mountain ash 
 ash mountain ash berry 
 bark 
 boxwood 
 cadeFR
 castoreumFR
 champaca champakFR
 cheese blueFL
 cheese camenbert cheese 
 cheese roguefort cheese 
 cherryFR
 civetFR
 costusFL
 daffodil narcissusFR
 dahlia 
 daphneFR
 enhancer 
 evergreenFR
 fagoniaFR
 fecal 
 fern fougereFR
 figFR
 foliage 
 fruit dried fruit 
 galangalFL/FR
 gardeniaFR
 hay new mown hay foin coupeFR
 honeysuckle chevrefeuilleFR
 hyacinth jacintheFR
 ivyFR
 jasminFR
 jonquil narcissus jonquillaFR
 autumnFR
 leatherFR
 lilac lilas syringaFR
 lilyFR
 mango flowerFR
 marigold tageteFL/FR
 mateFL/FR
 millefleurs 
 mimosaFR
 muguet lily of the valleyFR
 narcissus narcisseFR
 oakmoss mousse de chene mossFR
 oakwood 
 ocean sea 
 orange blossomFR
 peonyFR
 petal flower petal 
 petuniaFR
 poppy 
 privet 
 privet blossom 
 reseda mignonetteFR
 roseFR
 smokeFL
 spikenardFL/FR
 stephanotisFR
 stock evening scentedFR
 sweet peaFR
 tea 
 tobaccoFR
 tulipFR
 wallflowerFR
 white shoulders 
 wisteria wistaria glycineFR
 wormwood absinthiumFL/FR
 ylang ylangFR
Synonyms   Articles   Notes   Search   Top
Occurrence (nature, food, other): note
 not found in nature
Synonyms   Articles   Notes   Search   Top
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-
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