3,4-dimethoxytoluene

flavoring agents

2D:
3D:
CAS Number:	494-99-5
ECHA EC Number:	207-796-0
FDA UNII:	349X0G2SSF
Category:	flavoring agents
IUPAC Name:	3,4-dimethoxytoluene
InChI :	InChI=1/C9H12O2/c1-7-4-5-8(10-2)9(6-7)11-3/h4-6H,1-3H3
Std.InChI:	InChI=1S/C9H12O2/c1-7-4-5-8(10-2)9(6-7)11-3/h4-6H,1-3H3
InChIKey :	GYPMBQZAVBFUIZ-UHFFFAOYAG
Std.InChIKey:	GYPMBQZAVBFUIZ-UHFFFAOYSA-N
SMILES :	CC1=CC(=C(C=C1)OC)OC
MDL:	MFCD00016651
Molar Refractivity :	44.43 ± 0.3 cm3 (est)
Parachor :	358.2 ± 4.0 cm3 (est)
Index of Refraction :	1.489 ± 0.02 (est)
Surface Tension :	29.5 ± 3.0 dyne/cm (est)
Density :	0.990 ± 0.06 g/cm3 (est)
Polarizability :	17.61 ± 0.5 10-24cm3 (est)

US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:

Google Scholar:	Search
Google Books:	Search
Google Scholar: with word "volatile"	Search
Google Scholar: with word "flavor"	Search
Google Scholar: with word "odor"	Search
Perfumer and Flavorist:	Search
Google Patents:	Search
US Patents:	Search
EU Patents:	Search
Pubchem Patents:	Search
PubMed:	Search
NCBI:	Search

Physical 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
Vapor Pressure:	0.171000 mmHg @ 25.00 °C. (est)
Flash Point:	185.00 °F. TCC ( 85.00 °C. )
logP (o/w):	2.176 (est)
Soluble in:
	alcohol
	water, 1010 mg/L @ 25 °C (est)
Insoluble in:
	water

Cosmetic Information:

None found

Suppliers:

BOC Sciences

For experimental / research use only.

3,4-Dimethoxytoluene

Santa Cruz Biotechnology

For experimental / research use only.

3,4-Dimethoxytoluene 96%

Sigma-Aldrich: Aldrich

For experimental / research use only.

3,4-Dimethoxytoluene 96%

sds

TCI AMERICA

For experimental / research use only.

3,4-Dimethoxytoluene >99.0%(GC)

sds

Safety Information:

Preferred SDS: View
European information :
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 36 - Wear suitable protective clothing.

Hazards identification

Classification of the substance or mixture
GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)
None found.
GHS Label elements, including precautionary statements

Pictogram

Hazard statement(s)
None found.
Precautionary statement(s)
None found.
Oral/Parenteral Toxicity:
Not determined
Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined

Safety in Use Information:

Category:
flavoring agents
Recommendation for 3,4-dimethoxytoluene usage levels up to:
	not for fragrance use.

Safety References:

EPI System: View

AIDS Citations:Search

Cancer Citations:Search

EPA Substance Registry Services (TSCA):494-99-5

EPA ACToR:Toxicology Data

EPA Substance Registry Services (SRS):Registry

Laboratory Chemical Safety Summary :68126

National Institute of Allergy and Infectious Diseases:Data

WGK Germany:3

1,2-dimethoxy-4-methylbenzene

Chemidplus:0000494995

References:

	1,2-dimethoxy-4-methylbenzene
NIST Chemistry WebBook:	Search Inchi
Canada Domestic Sub. List:	494-99-5
Pubchem (cid):	68126
Pubchem (sid):	135024156
Pherobase:	View

Other Information:

(IUPAC):	Atomic Weights of the Elements 2011 (pdf)
Videos:	The Periodic Table of Videos
tgsc:	Atomic Weights use for this web site
(IUPAC):	Periodic Table of the Elements
CHEBI:	View
CHEMBL:	View
HMDB (The Human Metabolome Database):	Search
FooDB:	FDB008860
Export Tariff Code:	2909.30.4000
Typical G.C.
VCF-Online:	VCF Volatile Compounds in Food
ChemSpider:	View

Potential Blenders and core components :

None Found

Potential Uses:

None Found

Occurrence (nature, food, other):

	tea leaf Search Trop Picture
	ylang ylang oil @ 0.17% Data GC Search Trop Picture
	ylang ylang oil CO2 extract @ 0.04% Data GC Search Trop Picture

Synonyms:

	benzene, 1,2-dimethoxy-4-methyl-
1,2-	dimethoxy-4-methyl benzene
1,2-	dimethoxy-4-methyl-benzene
1,2-	dimethoxy-4-methylbenzene
4-	methyl veratrol
4-	methyl veratrole
4-	methyl-1,2-dimethoxybenzene
4-	methylveratrol
4-	methylveratrole
	toluene, 3,4-dimethoxy-
homo	veratrole

Articles:

None found yet. Try the PubMed Search.

CONTENTS

EU/US Properties EU/US Suppliers Safety Safety in use Safety reference References Other Blenders Uses Occurrence Synonyms Articles