propenyl guaethol
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IUPAC name :2-ethoxy-5-[(E)-prop-1-enyl]phenol
InChI :InChI=1/C11H14O2/c1-3-5-9-6-7-11(13-4-2)10(12)8-9/h3,5-8,12H,4H2,1-2H3/b5-3+
InChIKey :RADIRXJQODWKGQ-HWKANZROBE
SMILES :CCOC1=C(C=C(C=C1)\C=C\C)O
cas number :94-86-0
(EINECS) number :202-370-0
beilstein number :2259898
fema number :2922
coe number :170
jecfa number :1264
fl. number :04.002
molar refractivity :55.33 ± 0.3 cm3
parachor :421.6 ± 4.0 cm3
index of refraction :1.567 ± 0.02
surface tension :38.4 ± 3.0 dyne/cm
density :1.052 ± 0.06 g/cm3
polarizability :21.93 ± 0.5 10-24cm3
XlogP : 3.40
molecular weight : 178.2276600
formula :C11 H14 O2
BioActivity Analysis :71338
NMR Predictor :Predict
 
 
export tariff code :2912.49.5000
fda reg :172.515

Suppliers :
Advanced Biotech :propenyl guaethol
98% min. synthetic
Odor:  Medicinal, Vanilla
Apple :Vanitrope,Propenyl guaethol
Berje :Propenyl Guaethol
Citrus and Allied Essences :propenyl guaethol
FCC
Fleurchem :isosafro eugenol (propenyl guaethol)
John D. Walsh :Propenyl Guaethol
Moellhausen :propenyl guaethol
95% min. artifical kosher
Penta :propenyl guaethol
Polarome :isoSAFRO EUGENOL
Sigma-Aldrich-SAFC :Propenyl guaethol
≥99%, FCC, Kosher
Odor:  caramel; creamy; medicinal; nutty; sweet; vanilla; spicy

organoleptics :
odor type :vanilla
odor strength :medium ,
recommend smelling in a 10.00 % solution or less
odor description :¹
at 10.00 % in dipropylene glycol.  
sweet vanilla woody tobacco spicy phenolic powdery
odor sample from :CA Aromatics Company Inc.
substantivity :400  Hour(s)

properties :
appearence :white crystalline powder
assay : 99.00 to 100.00 %   
heavey metals :<10ppm
Food Chemicals Codex Listed :Yes
melting point : 86.00 to 88.00 °C. @ 760.00 mm Hg
vapor pressure :0.10000 mm/Hg @ 20.00 °C.
flash point :> 200.00  °F.  TCC  ( > 93.33 °C. )
logP (o/w) : 2.90
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.

safety :
most important hazard(s) :Xi - Irritant
  R 36/37/38 - Irritating to eyes, respiratory system, and skin.
S 02 - Keep out of the reach of children.
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 Toxicity(LD50) :
  Oral-Rat    2400.00  mg/kg
Quarterly Bulletin--Association of Food and Drug Officials of the United States. Vol.15,Pg.82,1951

Dermal Toxicity(LD50) :
  Not determined
Inhalation Toxicity(LC50) :
  Not determined
 

safety in use :
 
recommendation for propenyl guaethol usage levels up to :
  5.0000 % in the fragrance concentrate.
recommendation for propenyl guaethol usage levels up to :
  25.0000 ppm in the flavor.

safety references :
msds :msds
EPI System :view
Env. Mutagen Info. Center :Search
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
 
WGK Germany :2
 
 
 
 2-ethoxy-5-[(E)-prop-1-enyl]phenol
(EINECS) number :202-370-0
RTECS :SL3850000 for 94-86-0
chemidplus :000094860
EPA Substance Registry Services :94-86-0
dtp/nci :5194

references :
 2-ethoxy-5-[(E)-prop-1-enyl]phenol
fl. number :04.002
jecfa number :1264
pubchem :197200

Cosmetics :
Cosmetic uses : perfuming agents

other :
reference : Luebke, William tgsc, (1997)¹
CosIng :cosmetic data
 C of A
synonyms :
1-ethoxy-2-hydroxy-4-propenyl benzene
2-ethoxy-5-(1-propenyl) phenol
2-ethoxy-5-[(E)-prop-1-enyl]phenol
2-ethoxy-5-prop-1-enyl phenol
6-ethoxy-meta-anol
6-ethoxyprop-3-enyl phenol
 ethoxypropenyl phenol
 hydroxymethyl anethole
3-propenyl-6-ethoxyphenol
isosafroeugenol
 vaniatrope

soluble in :
 alcohol
 fixed oils
 propylene glycol
 water, very slightly

insoluble in :
 water

(odor and/or flavor) blends with :
 acetophenone
2-acetyl furan
2-acetyl pyrazine
2-acetyl-2-thiazoline
 allspice oil
isoamyl phenyl acetate
(E)-anethol
para-anisaldehyde
 anise seed oil
para-anisyl acetate
para-anisyl alcohol
 beeswax absolute
 benzoin resinoid
 benzyl cinnamate
 benzyl isoeugenol
 blood orange oil
isobutyl cinnamate
 caramel furanone
laevo-carvone
 cassia bark oil
 cedarwood oils
 cedryl methyl ether
 cinnamyl alcohol
 civet absolute
 clove bud oil
 coffee furanone
 copaiba balsam oil
 costus valerolactone
 coumarin
para-cresyl ethyl ether
 cyclohexyl ethyl alcohol
 davana oil
gamma-decalactone
 diacetyl
 dihydroanethol
 ethyl cinnamate
 ethyl maltol
 ethyl phenyl acetate
 ethyl vanillin
isoeugenyl acetate
 fir balsam absolute
 floral pyranol
 guaiacwood oil
 gurjun balsam oil
 hay absolute
 heliotropin
 heliotropyl acetate
 heliotropyl acetone
 heliotropyl diethyl acetal
gamma-heptalactone
(Z)-3-hexen-1-yl propionate
 hexyl isoeugenol
 hyacinth ether
 ionones
 labdanum resinoid
 lilac acetaldehyde
 maltol
alpha-methyl cinnamaldehyde
 methyl cinnamate
 methyl cyclopentenolone
 methyl dihydrojasmonate
 methyl ionones
 methyl isoeugenol
 methyl phenyl acetate
 musks
beta-naphthyl ethyl ether
 nerolidol
gamma-nonalactone
(Z)-6-nonen-1-al
gamma-octalactone
 octyl methyl ketone
 orange oil
 patchouli ethanone
 patchouli oil
 peony alcohol
 peru balsam oil
 phenethyl acetate
 phenethyl alcohol
 phenethyl isobutyrate
 phenethyl phenyl acetate
 phenyl acetic acid
3-phenyl propyl alcohol
 raspberry ketone
 raspberry ketone acetate
 raspberry ketone methyl ether
 sandal pentanol
 santall
 strawberry furanone
 substitutes for vanillin and ethyl vanillin
 tobacco dodecane
 tonka bean absolute
 vanilla absolute
 vanillin
 vanillyl acetate
 veratraldehyde
 verymoss
 vetiver oil
 violet leaf absolute
 violet methyl carbonate
 watermelon ketone
 woody amylene
 zingerone

(odor and/or flavor) used in :
 abronia
 acacia
 acorn
 allspice
 almond bitter almond
 almond blossom
 amber
 ambrene
 anise
 apple
 apple blossom
 apple green apple
 apricot
 arrack
 asafoetida
 asparagus
 azalea
 baby powder
 balsam
 banana
 barley
 bay rum
 bayberry
 bean locust bean
 benzoin
 bergamot
 blackberry
 bluebell
 blueberry
 bouquet
 brandy
 bread baked bread
 broom genet genista
 bubblegum
 butter
 butter rum
 butterscotch
 cabreuva
 cake
 candy
 candy cotton candy
 cappuccino
 caramel
 carnation dianthus oeillet
 cassia
 cassia blossom
 cassie acacia farnesiana
 castoreum
 cedar
 cedarwood
 cherry
 cherry blossom
 cherry brandy
 chocolate cocoa
 christmas blends
 cinnamon
 citronella
 civet
 clove
 clove blossom
 coconut
 coffee
 colonia
 cookie
 crabapple blossom
 cranberry
 cream
 cream ice cream
 cream soda
 currant
 custard
 date
 decumaria
 eggnog
 elder blossom
 elderberry
 fagonia
 fenugreek
 fern fougere
 fig
 fir balsam
 fixer
 floral
 flouve
 flouve blossom
 frangipanni plumeria
 fruit dried fruit
 gingerbread
 gooseberry
 graham cracker
 grape
 grenadine
 guaiacwood
 gurjun
 habuba
 hawthorn
 hay new mown hay foin coupe
 heliotrope
 herbal
 hibiscus
 hollyberry
 honeysuckle chevrefeuille
 hugonia
 hyacinth jacinthe
 hydrangea
 incense
 jackfruit
 jasmin
 kewda
 labdanum
 leather
 licorice
 lilac lilas syringa
 lotus
 lychee soapberry
 malt
 mango blossom
 maple
 marigold tagete
 marshmallow
 meadow
 melon watermelon muskmelon cantaloupe
 milk malted milk
 millefleurs
 mint
 molasses
 moss
 mulberry
 musk
 myrrh
 myrtle
 narcissus narcisse
 nut
 nut walnut
 oakmoss mousse de chene
 opoponax
 orange blossom fleur d'oranger
 orchid
 oriental
 papaya
 passion blossom
 passion fruit
 patchouli
 peach
 peach blossom
 pear
 pear blossom
 peru balsam
 petunia
 pina colada
 pineapple
 plum
 plum blossom
 plum greengage plum
 popcorn
 poppy red poppy
 powder
 praline
 prune
 pumpkin
 rain
 raisin
 raspberry
 raspberry black raspberry
 redwood
 rootbeer
 rose dog rose
 rose moss rose
 rose white rose
 rum
 rum butter rum
 sandalwood
 sarsaparilla
 sassafras
 spice
 starfruit
 straw
 strawberry
 sweet pea pois de senteur
 tea
 tobacco tabac tabaco
 toffee
 tolu balsam
 tonka
 tuberose tubereuse
 tutti frutti
 vanilla
 violet
 wallflower giroflee
 wistaria wisteria glycine
 woodruff asperula
 woody
 wormseed chenopodium

natural occurrence in :
not found in nature



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