3,4-dimethoxytoluene
 
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IUPAC name :1,2-dimethoxy-4-methylbenzene
InChI :InChI=1/C9H12O2/c1-7-4-5-8(10-2)9(6-7)11-3/h4-6H,1-3H3
InChIKey :GYPMBQZAVBFUIZ-UHFFFAOYAG
SMILES :CC1=CC(=C(C=C1)OC)OC
(EINECS) number :207-796-0
cas number :494-99-5
beilstein number :2045328
fl. number :04.060
molar refractivity :44.43 ± 0.3 cm3
parachor :358.2 ± 4.0 cm3
index of refraction :1.489 ± 0.02
surface tension :29.5 ± 3.0 dyne/cm
density :0.990 ± 0.06 g/cm3
polarizability :17.61 ± 0.5 10-24cm3
xlogp : 2.00
molecular weight : 152.1903800
formula :C9 H12 O2
BioActivity Analysis :73265
 
 
export tariff code :2909.30.4000
fda reg :unspecified
 

organoleptics :

properties :
assay : 95.00 to 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :1.05100 @ 25.00 °C.
melting point : 22.00 to 24.00 °C. @ 760.00 mm Hg
boiling point : 219.00 to 220.00 °C. @ 760.00 mm Hg
logp : 2.19

safety :
Oral Toxicity(LD50) : Not determined
Dermal Toxicity(LD50) : Not determined
flash point ( Deg. F. ) : 185.00  °F.  TCC  ( 85.00 °C. )
recommendation for 3,4-dimethoxytoluene usage levels up to :
 not for fragrance use.

safety references :
EPI System :view
 
 
 1,2-dimethoxy-4-methylbenzene
(EINECS) number :207-796-0
chemidplus :000494995
EPA Substance Registry Services :494-99-5
NLM Chemical Carcinogenesis Research Information System :494-99-5
NLM Developmental and Reproductive Toxicity :494-99-5
NLM Env. Mutagen Info. Center :494-99-5
NLM GENetic TOXicology :494-99-5
dtp/nci :7378

references :
 1,2-dimethoxy-4-methylbenzene
fl. number :04.060
pubchem :210250
NIST Chemistry WebBook :960204741

other :
synonyms :
1,2-dimethoxy-4-methyl benzene
3,4-dimethoxytoluene
4-methyl veratrol
4-methyl veratrole
4-methyl-1,2-dimethoxybenzene
homoveratrole

soluble in :
 alcohol

insoluble in :
 water

natural occurrence in :
data pageylang ylang oil @ 0.17%
data pageylang ylang oil CO2 extract @ 0.04%



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