methyl methacrylate
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IUPAC name :methyl 2-methylprop-2-enoate
InChI :InChI=1/C5H8O2/c1-4(2)5(6)7-3/h1H2,2-3H3
InChIKey :VVQNEPGJFQJSBK-UHFFFAOYAN
SMILES :CC(=C)C(=O)OC
cas number :80-62-6
(EINECS) number :201-297-1
eu annex :607-035-00-6
beilstein number :0605459
fema number :4002
jecfa number :1834
fl. number :09.647
molar refractivity :26.55 ± 0.3 cm3
parachor :240.9 ± 4.0 cm3
index of refraction :1.400 ± 0.02
surface tension :23.5 ± 3.0 dyne/cm
density :0.914 ± 0.06 g/cm3
polarizability :10.52 ± 0.5 10-24cm3
XlogP : 0.70
molecular weight : 100.1158200 (IUPAC)
formula :C5 H8 O2
BioActivity Analysis :17389829
NMR Predictor :Predict
 
 
export tariff code :2916.14.0020
fda reg :175.105
175.300
175.320
175.360
176.170
176.180
177.1010
177.1030
177.1200
177.1630
177.1830
177.2000
177.2420
177.2465
178.3790

Suppliers :
Penta :methyl methacrylate
Sigma-Aldrich-SAFC :Methyl methacrylate
≥98.5%

organoleptics :
odor strength :high ,
recommend smelling in a 0.10 % solution or less
odor description :
at 0.10 % in dipropylene glycol.  
acrylic aromatic fruity

properties :
appearence :colorless clear liquid
assay : 98.00 to 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.93400 to 0.93800 @ 25.00 °C.
pounds per gallon - calc. : 7.772 to 7.805
refractive index :1.41100 to 1.41700 @ 20.00 °C.
melting point : -49.00 to -47.00 °C. @ 760.00 mm Hg
boiling point : 98.00 to 100.00 °C. @ 760.00 mm Hg
vapor pressure :38.50000 mm/Hg @ 25.00 °C.
vapor density :3.5 ( Air = 1 )
flash point : 49.00  °F.  TCC  ( 9.44 °C. )
logP (o/w) : 1.38
shelf life : 12.00 month(s) or longer if stored properly.
storage :refrigerate in tightly sealed containers.

safety :
most important hazard(s) :Xi - Irritant
  R 11 - Highly flammable.
R 37/38 - Irritating to respiratory system and skin.
R 43 - May cause sensitisation by skin contact.
S 02 - Keep out of the reach of children.
S 16 - Keep away from sources of ignition - No Smoking.
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.
S 46 - If swallowed, seek medical advice immediately and show this container or label.
Oral Toxicity(LD50) :
  Oral-Rat    7872.00  mg/kg

Dermal Toxicity(LD50) :
  Skin-Rabbit  >5.00  gm/kg

Inhalation Toxicity(LC50) :
  Not determined
 

safety in use :
Maximised Survey-derived Daily Intakes (MSDI-EU) :0.061 (μg/capita/day)
modified Theoretical Added Maximum Daily Intake (mTAMDI) :3900 (μg/person/day)
Threshold of concern :540 (μg/person/day)
 
recommendation for methyl methacrylate usage levels up to :
 PROHIBITED : Should not be used as a fragrance ingredient.
 
Use levels for FEMA GRAS flavoring substances on which the FEMA Expert Panel based its judgments that the substances are generally recognized as safe (GRAS).
The Expert Panel also publishes separate extensive reviews of scientific information on all FEMA GRAS flavoring substances and can be found at FEMA on the "LIBRARY" link.
publication number : 20
 average usual ppmaverage maximum ppm
baked goods : --
beverages(nonalcoholic) : 2.0000010.00000
beverages(alcoholic) : 4.0000020.00000
breakfast cereal : --
cheese : --
chewing gum : --
condiments / relishes : --
confectionery froastings : --
egg products : --
fats / oils : 4.0000020.00000
fish products : --
frozen dairy : --
fruit ices : 2.0000010.00000
gelatins / puddings : --
granulated sugar : --
gravies : --
hard candy : --
imitation dairy : --
instant coffee / tea : --
jams / jellies : --
meat products : --
milk products : 2.0000010.00000
nut products : --
other grains : --
poultry : --
processed fruits : --
processed vegetables : --
reconstituted vegetables : --
seasonings / flavors : --
snack foods : --
soft candy : --
soups : --
sugar substitutes : --
sweet sauces : --
 
 
Food categories according to Commission Regulation EC No. 1565/2000 (EC, 2000) in FGE.06 (EFFA, 2002a). According to the Industry the "normal" use is defined as the average of reported usages and "maximum use" is defined as the 95th percentile of reported usages (EFFA, 2002i).
Note : mg/kg = 0.001/1000 = 0.000001 = 1/1000000 = ppm.
 average usage mg/kgmaximum usage mg/kg
Dairy products, excluding products of category 02.0 (01.0) : 7.0000035.00000
Fats and oils, and fat emulsions (type water-in-oil) (02.0) : 5.0000025.00000
Edible ices, including sherbet and sorbet (03.0) : 10.0000050.00000
Processed fruit (04.1) : 7.0000035.00000
Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2) : --
Confectionery (05.0) : 10.0000050.00000
Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0) : 5.0000025.00000
Bakery wares (07.0) : 10.0000050.00000
Meat and meat products, including poultry and game (08.0) : 5.0000025.00000
Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0) : 5.0000025.00000
Eggs and egg products (10.0) : --
Sweeteners, including honey (11.0) : --
Salts, spices, soups, sauces, salads, protein products, etc. (12.0) : 5.0000025.00000
Foodstuffs intended for particular nutritional uses (13.0) : 10.0000050.00000
Non-alcoholic ("soft") beverages, excl. dairy products (14.1) : 5.0000025.00000
Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2) : 10.0000050.00000
Ready-to-eat savouries (15.0) : 20.00000100.00000
Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0) : 5.0000025.00000

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
EPA-Iris :IRIS
NIOSH International Chemical Safety Cards :search
NIOSH Pocket Guide :search
NLM Hazardous Substances Data Bank :search
IFRA :IFRA - ( Found under : Other materials )
Chemical Carcinogenesis Research Information System :Search
Cancer Citations :Search
Toxicology Citations :Search
Env. Mutagen Info. Center :Search
NLM Developmental and Reproductive Toxicity :Search
National Toxicology Program :Search
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
WISER :UN 1247
 
WGK Germany :1
 
 
 
 methyl 2-methylprop-2-enoate
(EINECS) number :201-297-1
RTECS :80-62-6
chemidplus :000080626
EPA Substance Registry Services :80-62-6
dtp/nci :4769

references :
 methyl 2-methylprop-2-enoate
fl. number :09.647
jecfa number :1834
NIST Chemistry WebBook :80626
pubchem :149634

other :
Household Products : Search
synonyms :
 methacrylic acid methyl ester
2-(methoxycarbonyl)-1-propene
 methyl 2-methyl propenoate
 methyl 2-methyl-2-propenoate
 methyl 2-methylprop-2-enoate
2-methyl acrylic acid methyl ester
 methyl methyl acrylate
2-methyl-2-propenoic acid methyl ester

soluble in :
 propylene glycol
 water, 15000 mg/L @ 25C

natural occurrence in :
not found in nature



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