isobutyl methacrylate
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IUPAC name :2-methylpropyl 2-methylprop-2-enoate
InChI :InChI=1/C8H14O2/c1-6(2)5-10-8(9)7(3)4/h6H,3,5H2,1-2,4H3
InChIKey :RUMACXVDVNRZJZ-UHFFFAOYAN
SMILES :CC(C)COC(=O)C(=C)C
cas number :97-86-9
(EINECS) number :202-613-0
eu annex :607-113-00-X
beilstein number :1747595
fl. number :09.586
molar refractivity :40.41 ± 0.3 cm3
parachor :357.7 ± 4.0 cm3
index of refraction :1.421 ± 0.02
surface tension :25.4 ± 3.0 dyne/cm
density :0.892 ± 0.06 g/cm3
polarizability :16.02 ± 0.5 10-24cm3
XlogP : 1.80
XlogP3 : 2.70
molecular weight : 142.1955600 (IUPAC)
formula :C8 H14 O2
pherobase :view
NMR Predictor :Predict
 
 
export tariff code :2916.14.0050
fda reg :unspecified
Suppliers :
Penta :2-methylpropyl-2-methyl-2-propenoate
organoleptics :
properties :
appearence :colorless clear liquid
assay : 95.00 to 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.88200 to 0.88800 @ 25.00 °C.
pounds per gallon - calc. : 7.339 to 7.389
refractive index :1.40900 to 1.41500 @ 20.00 °C.
boiling point : 155.00 °C. @ 760.00 mm Hg
vapor pressure :3.63000 mm/Hg @ 25.00 °C.
vapor density :3.8 ( Air = 1 )
flash point : 111.00  °F.  TCC  ( 43.89 °C. )
logP (o/w) : 2.66
safety :
most important hazard(s) :Xi N - Irritant, Dangerous for the environment.
  R 10 - Flammable.
R 36/37/38 - Irritating to eyes, respiratory system, and skin.
R 43 - May cause sensitisation by skin contact.
R 50 - Very toxic to aquatic organisms.
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 37/39 - Wear suitable gloves and eye/face protection.
S 61 - Avoid release to the environment. Refer to special instructions/safety data sheet.
Oral Toxicity(LD50) :
  Oral-Mouse    11990.00  mg/kg
Toxicology Letters. Vol. 11, Pg. 125, 1982.

Intraperitoneal-Mouse    1340.00  mg/kg
Journal of Pharmaceutical Sciences. Vol. 62, Pg. 778, 1973.

Dermal Toxicity(LD50) :
  Not determined
Inhalation Toxicity(LC50) :
  Not determined
 
safety in use :
Maximised Survey-derived Daily Intakes (MSDI-EU) :0.012 (μg/capita/day)
modified Theoretical Added Maximum Daily Intake (mTAMDI) :3900 (μg/person/day)
Threshold of concern :540 (μg/person/day)
 
recommendation for isobutyl methacrylate fragrance usage levels up to :
 not for fragrance use.
recommendation for isobutyl methacrylate flavor usage levels up to :
 not for flavor use.
 
 
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) : 2.0000010.00000
Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0) : 2.0000010.00000
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
IUCLID :view
NLM Hazardous Substances Data Bank :search
Chemical Carcinogenesis Research Information System :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 2283
 
WGK Germany :1
 
 
 
 
2-methylpropyl 2-methylprop-2-enoate
(EINECS) number :202-613-0
RTECS :OZ4900000 for cas# 97-86-9
chemidplus :000097869
EPA/NOAA CAMEO :hazardous materials
EPA Substance Registry Services :97-86-9
dtp/nci :18607
references :
 
2-methylpropyl 2-methylprop-2-enoate
fl. number :09.586
NIST Chemistry WebBook :97869
pubchem :150416
Cosmetics :
Cosmetic uses : film formers
other :
CosIng :cosmetic data
synonyms :
isobutyl 2-methyl prop-2-enoate
isobutyl 2-methyl-2-propenoate
isobutyl alpha-methacrylate
 methacrylic acid isobutyl ester
2-methylpropyl 2-methyl-2-propenoate
2-methylpropyl 2-methylprop-2-enoate
soluble in :
 alcohol
 water, 1300 mg/L @ 25C
insoluble in :
 water
potential uses :
 film formers
natural occurrence in :
 not found in nature  



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