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
cas number :107-31-3
(EINECS) number :203-481-7
eu annex :607-014-00-1
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 (IUPAC)
formula :C2 H4 O2
NMR Predictor :Predict
 
 
export tariff code :2915.13.0000
fda reg :unspecified

Suppliers :
Inoue :METHYL FORMATE
Penta :methyl formate
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 to 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.97400 to 0.97500 @ 25.00 °C.
pounds per gallon - calc. : 8.105 to 8.113
refractive index :1.34100 to 1.34600 @ 20.00 °C.
melting point :-100.00 °C. @ 760.00 mm Hg
boiling point : 31.50 to 31.80 °C. @ 760.00 mm Hg
boiling point : 8.00 to 9.00 °C. @ 300.00 mm Hg
vapor pressure :586.00000 mm/Hg @ 25.00 °C.
vapor density :2.1 ( Air = 1 )
flash point : -16.00  °F.  TCC  ( -26.67 °C. )
logP (o/w) : 0.03

safety :
most important hazard(s) :Xn - Harmful.
  R 12 - Extremely flammable.
R 20/22 - Harmful by inhalation and if swallowed.
R 36/37 - Irritating to eyes and respiratory system.
S 02 - Keep out of the reach of children.
S 09 - Keep container in a well-ventilated place.
S 16 - Keep away from sources of ignition - No Smoking.
S 20/21 - When using do not eat, drink or smoke.
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 33 - Take precautionary measures against static discharge.
S 36/37/39 - Wear suitable clothing, gloves and eye/face protection.
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

Inhalation Toxicity(LC50) :
  Not determined
 

safety in use :
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)
 
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.
 average usage mg/kgmaximum usage mg/kg
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 references :
European Food Safety Athority(efsa) :Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies...
EPI System :view
NIOSH International Chemical Safety Cards :search
NIOSH Pocket Guide :search
NLM Hazardous Substances Data Bank :search
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 1243
 
WGK Germany :1
 
 
 
 methyl formate
(EINECS) number :203-481-7
RTECS :107-31-3
chemidplus :000107313
EPA/NOAA CAMEO :hazardous materials
EPA Substance Registry Services :107-31-3

references :
 methyl formate
fl. number :09.642
NIST Chemistry WebBook :107313
pubchem :150970

other :
synonyms :
 formic acid methyl ester
 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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