vanilla cresol
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IUPAC name :2-ethoxy-4-methylphenol
InChI :InChI=1/C9H12O2/c1-3-11-9-6-7(2)4-5-8(9)10/h4-6,10H,3H2,1-2H3
InChIKey :ZWQBCCVEOIYNDL-UHFFFAOYAN
SMILES :CCOC1=C(C=CC(=C1)C)O
cas number :2563-07-7
molar refractivity :44.27 ± 0.3 cm3
parachor :356.3 ± 4.0 cm3
index of refraction :1.524 ± 0.02
surface tension :36.8 ± 3.0 dyne/cm
density :1.052 ± 0.06 g/cm3
polarizability :17.55 ± 0.5 10-24cm3
XlogP : 2.40
molecular weight : 152.1903800
formula :C9 H12 O2
NMR Predictor :Predict
 
 
export tariff code :unspecified
fda reg :unspecified

Suppliers :
Givaudan :Ultravanil
80%/DPG
Odor:  Vanilla, Sweet, Phenolic

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.  
vanilla woody spicy guaiacol
odor sample from :Quest International

properties :
appearence :pale yellow to yellow clear liquid to solid
assay : 96.00 to 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :1.06500 to 1.06700 @ 25.00 °C.
pounds per gallon - calc. : 8.862 to 8.879
refractive index :1.51000 @ 20.00 °C.
boiling point : 243.00 to 244.00 °C. @ 760.00 mm Hg
flash point :> 200.00  °F.  TCC  ( > 93.33 °C. )
logP (o/w) : 2.18

safety :
most important hazard(s) :Xn - Harmful.
  R 22 - Harmful if swallowed.
R 36/38 - Irritating to skin and eyes.
R 43 - May cause sensitisation by skin contact.
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 Toxicity(LD50) :
  Not determined
Dermal Toxicity(LD50) :
  Not determined
Inhalation Toxicity(LC50) :
  Not determined
 

safety in use :
 
recommendation for vanilla cresol usage levels up to :
  1.0000 % in the fragrance concentrate.
recommendation for vanilla cresol usage levels up to :
 not for flavor use.

safety references :
EPI System :view
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
 
WGK Germany :3
 
 
 
 2-ethoxy-4-methylphenol
chemidplus :002563077
EPA Substance Registry Services :2563-07-7

references :
 2-ethoxy-4-methylphenol
NIST Chemistry WebBook :3159180724
pubchem :217936

Cosmetics :
Cosmetic uses : perfuming agents

other :
reference : Luebke, William tgsc, (1996)¹
CosIng :cosmetic data
synonyms :
2-ethoxy-4-methyl phenol
2-ethoxy-4-methylphenol
 ethoxy-para-cresol
 ultravanil

soluble in :
 alcohol
 water, very slightly

insoluble in :
 water

stability :
 higher ph products

(odor and/or flavor) blends with :
 acetanisole
 acetovanillone
ortho-anisaldehyde
para-anisyl acetate
para-anisyl formate
 benzoin
 benzoin absolute siam
 benzoin absolute sumatra
 benzoin resin siam
 benzoin resin sumatra
 benzoin resinoid
 benzoin resinoid siam
 benzoin resinoid sumatra
1-benzoyl acetone
 coumane
 coumarin
para-cresyl laurate
 dianthus ethone
1,2-dimethoxybenzene
2,4-dimethyl benzaldehyde
 divanillin
alpha-ethoxy-ortho-cresol
 ethyl vanillate
 ethyl vanillin
 ethyl vanillin hexylene glycol acetal
 ethyl vanillin isobutyrate
 ethyl vanillin propylene glycol acetal
 furfural acetone
 glucoethyl vanillin
 guaiacol
 guaiacyl acetate
 heliotropin
 heliotropyl alcohol
 menthoxypropane diol
(E)-para-methoxycinnamaldehyde
para-methoxycinnamaldehyde
4-methoxysalicylaldehyde
6-methyl coumarin
4-methyl guaiacol
 methyl vanillate
 peru balsam
 peru balsam oil
 peru balsam resinoid
 powdery ketone
 propenyl guaethol
 resorcinol
 vanilla absolute
 vanilla carboxylate
 vanilla oleoresin
 vanilla resinoid
 vanillic acid
 vanillin
 vanillin 1,2-butylene glycol acetal (erythro and threo)
 vanillin hexylene glycol acetal
 vanillin menthoxypropane diol acetal
 vanillin propylene glycol acetal
 vanillyl acetate
 vanillyl alcohol
 vanillyl butyl ether
 vanillyl ethyl ether
 vanillyl isobutyrate
 vanillylidene acetone
 veratraldehyde
 zingerone

(odor and/or flavor) used in :
 amber
 heliotrope
 moss
 oriental
 vanilla
 woody

natural occurrence in :
not found in nature



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