methyl formate
 
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IUPAC name :methyl formate
InChI :InChI=1/C2H4O2/c1-4-2-3/h2H,1H3
InChIKey :TZIHFWKZFHZASV-UHFFFAOYAI
SMILES :COC=O
(EINECS) number :203-481-7
eu annex :607-014-00-1
cas number :107-31-3
beilstein number :1734623
coe number :10795
fl. number :09.642
molar refractivity :13.24 ± 0.3 cm3
parachor :140.2 ± 4.0 cm3
index of refraction :1.328 ± 0.02
surface tension :21.3 ± 3.0 dyne/cm
density :0.920 ± 0.06 g/cm3
polarizability :5.25 ± 0.5 10-24cm3
molecular weight : 60.0519600
formula :C2 H4 O2
 
 
export tariff code :2915.13.0000
fda reg :unspecified
 

Suppliers :
Sigma-Aldrich-SAFC :Methyl formate
 ≥95%
 
 

organoleptics :
odor strength :medium ,
recommend smelling in a 10.00 % solution or less
odor description :
at 10.00 % in dipropylene glycol.  
fruity plum

properties :
appearence :colorless clear liquid
assay : 99.00 - 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.97400 - 0.97500 @ 25.00 °C.
pounds per gallon - calc. : 8.105 to 8.113
refractive index :1.34100 - 1.34600 @ 20.00 °C.
melting point :-100.00 °C. @ 760.00 mm Hg
boiling point : 31.50 - 31.80 °C. @ 760.00 mm Hg
boiling point : 8.00 - 9.00 °C. @ 300.00 mm Hg
logp : 0.03

safety :
Oral Toxicity(LD50) : Oral-Rat    1500.00  mg/kg    (BASF AG, 1979)
Oral-Rat    475.00  mg/kg    (Eastman Kodak Co., 1994a)
Oral-Mouse    475.00  mg/kg    (Eastman Kodak Co., 1994a)
Oral-Rabbit    1600.00  mg/kg    (Munch,1972)
Oral-Rabbit    1600.00  mg/kg    (Gosselin et al., 1984)
Oral-Rabbit    1622.00  mg/kg    (RTECS,2002)
Dermal Toxicity(LD50) : Skin-Guineapig  >20.00  ml/kg    
Skin-Rabbit  >5000.00  mg/kg    
Skin-Rat  >4000.00  mg/kg    
Maximised Survey-derived Daily Intakes (MSDI-EU) :0.97 (μg/capita/day)
modified Theoretical Added Maximum Daily Intake (mTAMDI) :2700 (μg/person/day)
Threshold of concern :1800 (μg/person/day)
  
flash point ( Deg. F. ) : -16.00  °F.  TCC  ( -26.67 °C. )
  
recommendation for methyl formate usage levels up to :
 not for fragrance 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.
Dairy products, excluding products of category 02.0 (01.0) : 5.0000035.00000
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) : 5.0000050.00000
Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0) : 5.0000025.00000
Bakery wares (07.0) : 5.0000050.00000
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) : --
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) : 2.0000025.00000
Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2) : 5.0000050.00000
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 links :
(EINECS) number :203-481-7
rtecs :LQ8925000 for 107-31-3
chemidplus :000107313
epa-srs :107-31-3
  

other :
 

references :
fl. number :09.642
pubchem :150970
  
synonyms :
 formic acid methyl ester
 methyl formate
 methyl methanoate
soluble in :
 alcohol
 water, 230000 mg/L @ 25C
(odor and/or flavor) blends with :
isoamyl 3-methyl thiopropionate
isoamyl formate
isoamyl propionate
para-anisyl acetate
para-anisyl butyrate
 apple crotonate
 apricot isobutyrate
3-benzyl-4-heptanone
 buchu mercaptan
 butyl anthranilate
 butyl formate
 cassis pentanone
 citronellyl acetate
 citronellyl formate
beta-damascenone
(E)-beta-damascone
(Z)-beta-damascone
beta-damascone
 dimethyl benzyl carbinyl butyrate
alpha,alpha-dimethyl benzyl isobutyrate
 ethyl (E,Z)-2,4-decadienoate
 ethyl 3-octenoate
 ethyl 4-phenyl butyrate
 ethyl cinnamate
 geranyl methyl tiglate
 guaiyl butyrate
 heptanal dimethyl acetal
 heptyl formate
2-hexen-1-al
 hexyl formate
 maltyl isobutyrate
 methyl 2-(methyl thio) butyrate
 methyl thiomethyl butyrate
2-octen-4-one
 passiflora acetate
1-penten-3-ol
 petitgrain mandarin oil
 phenethyl acetate
1-phenyl propyl butyrate
3-phenyl propyl isovalerate
 plum crotonate
 propyl isobutyrate
 propyl salicylate
4-(para-tolyl)-2-butanone
 tropical 3-thiobutyrate
 tropical indene
 tropical ionone
 tropical thiazole
isovaleraldehyde propylene glycol acetal
 viridiflorol
(odor and/or flavor) used in :
 arrack
 berry
 cherry
 fumigant
 lemon
 plum
natural occurrence in :
not found in nature



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