ortho-dimethyl hydroquinone
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IUPAC name :1,2-dimethoxybenzene
InChI :InChI=1/C8H10O2/c1-9-7-5-3-4-6-8(7)10-2/h3-6H,1-2H3
InChIKey :ABDKAPXRBAPSQN-UHFFFAOYAD
SMILES :COC1=CC=CC=C1OC
cas number :91-16-7
(EINECS) number :202-045-3
beilstein number :1364621
fema number :3799
coe number :10320
jecfa number :1248
fl. number :04.062
molar refractivity :39.60 ± 0.3 cm3
parachor :320.6 ± 4.0 cm3
index of refraction :1.488 ± 0.02
surface tension :29.6 ± 3.0 dyne/cm
density :1.005 ± 0.06 g/cm3
polarizability :15.70 ± 0.5 10-24cm3
XlogP : 1.60
molecular weight : 138.1638000
formula :C8 H10 O2
BioActivity Analysis :80409
NMR Predictor :Predict
 
 
export tariff code :unspecified
fda reg :unspecified

Suppliers :
Penta :veratrole
Sigma-Aldrich-SAFC :1,2-Dimethoxybenzene
≥99%
Odor:  creamy; vanilla.

organoleptics :
odor type :vanilla
odor strength :medium ,
recommend smelling in a 1.00 % solution or less
odor description :
at 1.00 % in dipropylene glycol.  
sweet creamy vanilla phenolic musty

properties :
appearence :colorless clear liquid
assay : 99.00 to 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :1.08200 to 1.08600 @ 25.00 °C.
pounds per gallon - calc. : 9.003 to 9.037
refractive index :1.53300 to 1.53600 @ 20.00 °C.
melting point : 19.00 to 23.00 °C. @ 760.00 mm Hg
boiling point : 206.00 to 207.00 °C. @ 760.00 mm Hg
vapor pressure :0.47000 mm/Hg @ 25.00 °C.
flash point : 189.00  °F.  TCC  ( 87.22 °C. )
logP (o/w) : 1.96

safety :
most important hazard(s) :Xn - Harmful.
  R 22 - Harmful if swallowed.
S 02 - Keep out of the reach of children.
S 20/21 - When using do not eat, drink or smoke.
S 36 - Wear suitable protective clothing.
Oral Toxicity(LD50) :
  Oral-Rat    890.00  mg/kg

Oral-Mouse    700.00  mg/kg

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

safety in use :
Maximised Survey-derived Daily Intakes (MSDI-EU) :ND (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA) :20.00 (μg/capita/day)
 
recommendation for ortho-dimethyl hydroquinone usage levels up to :
  0.2000 % in the fragrance concentrate.

safety references :
European Food Safety Athority(efsa) :Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies...
EPI System :view
Cancer Citations :Search
Toxicology Citations :Search
Env. Mutagen Info. Center :Search
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
 
WGK Germany :1
 
 
 
 1,2-dimethoxybenzene
(EINECS) number :202-045-3
RTECS :CZ6475000 for 91-16-7
chemidplus :000091167
EPA Substance Registry Services :91-16-7
dtp/nci :16934

references :
 1,2-dimethoxybenzene
fl. number :04.062
jecfa number :1248
NIST Chemistry WebBook :1942022773
pubchem :150067

Cosmetics :
Cosmetic uses : perfuming agents

other :
CosIng :cosmetic data
VCF-Online: VCF Volatile Compounds in Food
synonyms :
 catechol dimethyl ether
1,2-dimethoxybenzene
ortho-dimethoxybenzene
2-dimethoxybenzol
2-methoxyanisole
 pyrocatechol dimethyl ether
 synthol
 veratrol
 veratrole

soluble in :
 alcohol
 water, 3670 mg/L @ 25C

insoluble in :
 water

(odor and/or flavor) blends with :
 ethyl vanillin
 ethyl vanillin isobutyrate
 ethyl vanillin propylene glycol acetal
6-methyl coumarin
 vanilla oleoresin
 vanillic acid
 vanillin
 vanillyl acetate
 vanillyl alcohol
 vanillyl isobutyrate
 vanillylidene acetone

(odor and/or flavor) used in :
 vanilla

natural occurrence in :
coffee



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