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 (IUPAC)
formula :C9 H12 O2
NMR Predictor :Predict
 
 
export tariff code :unspecified
fda reg :unspecified

Suppliers :
Givaudan :Ultravanil
80%/DPG
Odor:  Vanilla, Sweet, Phenolic
Ultravanil has a very powerful vanilla absolute note. Neat it has a strong phenolic background. 10% dilution at 1 or 2% can be used as a booster to other vanillic notes in a formulation. Ultravanil works well in combination with vanillin and ethyl vanillin. It is also used to boost the performance of Isobutavan. Ultravanil is far less discolouring than either vanillin or ethylvanillin.
Vigon :Ultravanil
Odor:  Vanilla, Sweet, Phenolic

organoleptics :
odor type :vanilla
odor strength :medium ,
recommend smelling in a 10.00 % solution or less
odor description:
at 10.00 % in dipropylene glycol.  
vanilla woody spicy guaiacol
Luebke, William tgsc, (1996)
odor sample from :Quest International

properties :
appearence :pale yellow to yellow clear liquid to solid
assay : 96.00 to 100.00 %   sum of isomers
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 :
Category :fragrance agents
 
IFRA critical Effect :Sensitization
Fragrance usage is IFRA RESTRICTED to :
Please review all IFRA documents for complete information. (QRA)
IFRA categories : limits in the finished product: (For a description of the categories, refer to the IFRA QRA Information Booklet.)
Category 1 :
See Note (1)
0.01 % (1)Category 2 : 0.01 %
Category 3 : 0.03 %Category 4 : 0.10 %
Category 5 : 0.10 %Category 6 :
See Note (1)
0.20 % (1)
Category 7 : 0.02 %Category 8 : 0.20 %
Category 9 : 1.20 %Category 10 : 1.90 %
Category 11 :See Note (2)
 Notes :
 

(1) IFRA would recommend that any material used to impart perfume or flavour in products intended for human ingestion should consist of ingredients that are in compliance with appropriate regulations for foods and food flavourings in the countries of planned distribution and, where these are lacking, with the recommendations laid down in the Code of Practice of IOFI (International Organisation of the Flavor Industry). Further information about IOFI can be found on its website (www.iofi.org).

 

(2) Category 11 includes all non-skin contact or incidental skin contact products. Due to the negligible skin contact from these types of products there is no justification for a restriction of the concentration of this fragrance ingredient in the finished product.

recommendation for vanilla cresol flavor usage levels up to :
 not for flavor use.

safety references :
EPI System :view
IFRA :IFRA - ( Found under : 2-Ethoxy-4-methylphenol )
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 :
CosIng :cosmetic data
synonyms :
2-ethoxy-4-methyl phenol
2-ethoxy-4-methylphenol
 ethoxy-para-cresol
 ultravanil
 vanilla cresol

soluble in :
 alcohol
 water, very slightly

insoluble in :
 water

stability :
 higher ph products

potential blenders :    note
 acetanisoleFL/FR
 acetovanilloneFL/FR
ortho-anisaldehydeFL/FR
para-anisyl acetateFL/FR
para-anisyl formateFL/FR
 benzoinFL
 benzoin absolute siamFL/FR
 benzoin absolute sumatraFL/FR
 benzoin resin siamFL/FR
 benzoin resin sumatraFL/FR
 benzoin resinoidFL/FR
 benzoin resinoid siamFL/FR
 benzoin resinoid sumatraFL/FR
1-benzoyl acetoneFL/FR
 coumaneFL/FR
 coumarinFR
para-cresyl laurateFL/FR
 dianthus ethoneFR
1,2-dimethoxybenzeneFL/FR
2,4-dimethyl benzaldehydeFL/FR
 divanillinFL
alpha-ethoxy-ortho-cresolFL/FR
 ethyl vanillateFL/FR
 ethyl vanillinFL/FR
 ethyl vanillin hexylene glycol acetalFR
 ethyl vanillin isobutyrateFL/FR
 ethyl vanillin propylene glycol acetalFL/FR
 furfural acetoneFL
 glucoethyl vanillinFL
 guaiacolFL/FR
 guaiacyl acetateFL/FR
 heliotropinFL/FR
 heliotropyl alcoholFL/FR
 menthoxypropane diolFL/FR
(E)-para-methoxycinnamaldehydeFL/FR
para-methoxycinnamaldehydeFL/FR
4-methoxysalicylaldehydeFL
6-methyl coumarinFL
4-methyl guaiacolFL/FR
 methyl vanillateFL/FR
 peru balsamFL
 peru balsam oilFL/FR
 peru balsam resinoidFL/FR
 powdery ketoneFL
 propenyl guaetholFL/FR
 resorcinolFR
 vanilla absoluteFL/FR
 vanilla carboxylateFL/FR
 vanilla oleoresinFL/FR
 vanilla resinoidFL/FR
 vanillic acidFL/FR
 vanillinFL/FR
 vanillin 1,2-butylene glycol acetal (erythro and threo)FL/FR
 vanillin hexylene glycol acetalFR
 vanillin menthoxypropane diol acetalFL/FR
 vanillin propylene glycol acetalFL/FR
 vanillyl acetateFL/FR
 vanillyl alcoholFL/FR
 vanillyl butyl etherFL/FR
 vanillyl ethyl etherFL/FR
 vanillyl isobutyrateFL/FR
 vanillylidene acetoneFL/FR
 veratraldehydeFL/FR
 zingeroneFL/FR

potential uses :
 amber
 heliotrope
 moss
 oriental
 vanilla
 woody

natural occurrence in :    note
 not found in nature  

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