Methyl 3,4-dimethylbenzoate

Modify Date: 2024-01-15 14:57:08

Methyl 3,4-dimethylbenzoate Structure
Methyl 3,4-dimethylbenzoate structure
Common Name Methyl 3,4-dimethylbenzoate
CAS Number 38404-42-1 Molecular Weight 164.20100
Density 1.027g/cm3 Boiling Point 129 °C0.2 mm Hg(lit.)
Molecular Formula C10H12O2 Melting Point 60-62 °C(lit.)
MSDS N/A Flash Point 108.4ºC

 Names

Name Methyl 3,4-dimethylbenzoate
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.027g/cm3
Boiling Point 129 °C0.2 mm Hg(lit.)
Melting Point 60-62 °C(lit.)
Molecular Formula C10H12O2
Molecular Weight 164.20100
Flash Point 108.4ºC
Exact Mass 164.08400
PSA 26.30000
LogP 2.09000
Index of Refraction 1.508

 MSDS

Name: Methyl 3 4-dimethylbenzoate 97% Material Safety Data Sheet
Synonym:
CAS: 38404-42-1
Section 1 - Chemical Product MSDS Name:Methyl 3 4-dimethylbenzoate 97% Material Safety Data Sheet
Synonym:

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
38404-42-1 Methyl 3,4-dimethylbenzoate 97% unlisted
Hazard Symbols: None Listed.
Risk Phrases: None Listed.

Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Not available.
Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation. May be harmful if absorbed through the skin.
Ingestion:
May cause irritation of the digestive tract. May be harmful if swallowed.
Inhalation:
May cause respiratory tract irritation. May be harmful if inhaled.
Chronic:
Not available.

Section 4 - FIRST AID MEASURES
Eyes: Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid.
Skin:
Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes.
Ingestion:
Get medical aid. Wash mouth out with water.
Inhalation:
Remove from exposure and move to fresh air immediately.
Notes to Physician:
Treat symptomatically and supportively.

Section 5 - FIRE FIGHTING MEASURES
General Information:
As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear.
Extinguishing Media:
Use water spray, dry chemical, carbon dioxide, or chemical foam.

Section 6 - ACCIDENTAL RELEASE MEASURES
General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Absorb spill with inert material (e.g. vermiculite, sand or earth), then place in suitable container.

Section 7 - HANDLING and STORAGE
Handling:
Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes.
Storage:
Store in a cool, dry place. Store in a tightly closed container.

Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
Engineering Controls:
Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 38404-42-1: Personal Protective Equipment Eyes: Not available.
Skin:
Wear appropriate protective gloves to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to prevent skin exposure.
Respirators:
Follow the OSHA respirator regulations found in 29 CFR 1910.134 or European Standard EN 149. Use a NIOSH/MSHA or European Standard EN 149 approved respirator if exposure limits are exceeded or if irritation or other symptoms are experienced.

Section 9 - PHYSICAL AND CHEMICAL PROPERTIES

Physical State: Solid
Color: off-white
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: Not available.
Autoignition Temperature: Not available.
Flash Point: Not available.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C10H12O2
Molecular Weight: 164

Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Strong oxidizing agents.
Hazardous Decomposition Products:
Carbon monoxide, carbon dioxide.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 38404-42-1 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
Methyl 3,4-dimethylbenzoate - Not listed by ACGIH, IARC, or NTP.

Section 12 - ECOLOGICAL INFORMATION


Section 13 - DISPOSAL CONSIDERATIONS
Dispose of in a manner consistent with federal, state, and local regulations.

Section 14 - TRANSPORT INFORMATION

IATA
No information available.
IMO
No information available.
RID/ADR
No information available.

Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: Not available.
Risk Phrases:
Safety Phrases:
S 24/25 Avoid contact with skin and eyes.
WGK (Water Danger/Protection)
CAS# 38404-42-1: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 38404-42-1 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 38404-42-1 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A

 Safety Information

Hazard Codes Xi
Risk Phrases R36/37/38
Safety Phrases S26-S37
HS Code 2916399090

 Synthetic Route

~98%

Methyl 3,4-dimethylbenzoate Structure

Methyl 3,4-dime...

CAS#:38404-42-1

Literature: Woodhead, Andrew J.; Angove, Hayley; Carr, Maria G.; Chessari, Gianni; Congreve, Miles; Coyle, Joseph E.; Cosme, Jose; Graham, Brent; Day, Philip J.; Downham, Robert; Fazal, Lynsey; Feltell, Ruth; Figueroa, Eva; Frederickson, Martyn; Lewis, Jonathan; McMenamin, Rachel; Murray, Christopher W.; O'Brien, M. Alistair; Parra, Lina; Patel, Sahil; Phillips, Theresa; Rees, David C.; Rich, Sharna; Smith, Donna-Michelle; Trewartha, Gary; Vinkovic, Mladen; Williams, Brian; Woolford, Alison J.-A. Journal of Medicinal Chemistry, 2010 , vol. 53, # 16 p. 5956 - 5969

~95%

Methyl 3,4-dimethylbenzoate Structure

Methyl 3,4-dime...

CAS#:38404-42-1

Literature: Rational Drug Design Laboratories Patent: US5698580 A1, 1997 ;

~92%

Methyl 3,4-dimethylbenzoate Structure

Methyl 3,4-dime...

CAS#:38404-42-1

Literature: Wang, Lianyue; Li, Jun; Dai, Wen; Lv, Ying; Zhang, Yi; Gao, Shuang Green Chemistry, 2014 , vol. 16, # 4 p. 2164 - 2173

~%

Methyl 3,4-dimethylbenzoate Structure

Methyl 3,4-dime...

CAS#:38404-42-1

Literature: Hitachi Chemical Co., Ltd.; HITACHI, LTD. Patent: EP284370 A2, 1988 ;

~%

Methyl 3,4-dimethylbenzoate Structure

Methyl 3,4-dime...

CAS#:38404-42-1

Literature: Gready, Jill E.; Hambley, Trevor W.; Kakiuchi, Kiyomi; Kobiro, Kazuya; Sternhell, Sever; Tansey, Charles W.; Tobe, Yoshito Journal of the American Chemical Society, 1990 , vol. 112, # 21 p. 7537 - 7540

~%

Methyl 3,4-dimethylbenzoate Structure

Methyl 3,4-dime...

CAS#:38404-42-1

Literature: Gready, Jill E.; Hambley, Trevor W.; Kakiuchi, Kiyomi; Kobiro, Kazuya; Sternhell, Sever; Tansey, Charles W.; Tobe, Yoshito Journal of the American Chemical Society, 1990 , vol. 112, # 21 p. 7537 - 7540

~%

Methyl 3,4-dimethylbenzoate Structure

Methyl 3,4-dime...

CAS#:38404-42-1

Literature: Budesinsky, Milos; Kulhanek, Jiri; Boehm, Stanislav; Cigler, Petr; Exner, Otto Magnetic Resonance in Chemistry, 2004 , vol. 42, # 10 p. 844 - 851

~%

Methyl 3,4-dimethylbenzoate Structure

Methyl 3,4-dime...

CAS#:38404-42-1

Literature: Gholamipour-Shirazi, Azarmidokht; Rolando, Christian Organic Process Research and Development, 2012 , vol. 16, # 5 p. 811 - 818

 Customs

HS Code 2916399090
Summary 2916399090 other aromatic monocarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and their derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

 Synonyms

Benzoic acid,3,4-dimethyl-,methyl ester
methyl ester of 3,4-dimethylbenzoic acid
3,4-Dimethyl-benzoesaeure-methylester
MFCD00219861
3,4-dimethyl-benzoic acid methyl ester
5-Fluoro-pyridine-2-carbonitrile