propyl formate
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Notes :
Fruit lifter.
 
Right Click Picture For More Options. (Safari 1.2 (v125) Compatible).
 
IUPAC name :propyl formate
InChI :InChI=1/C4H8O2/c1-2-3-6-4-5/h4H,2-3H2,1H3
InChIKey :KFNNIILCVOLYIR-UHFFFAOYAC
SMILES :CCCOC=O
cas number :110-74-7
(EINECS) number :203-798-0
eu annex :607-016-00-2
beilstein number :1739272
fema number :2943
coe number :340
jecfa number :117
fl. number :09.073
molar refractivity :22.51 ± 0.3 cm3
parachor :219.8 ± 4.0 cm3
index of refraction :1.375 ± 0.02
surface tension :25.0 ± 3.0 dyne/cm
density :0.896 ± 0.06 g/cm3
polarizability :8.92 ± 0.5 10-24cm3
XlogP : 0.80
molecular weight : 88.1051200
formula :C4 H8 O2
NMR Predictor :Predict
 

 
IUPAC name :propan-1-ol
InChI :InChI=1/C3H8O/c1-2-3-4/h4H,2-3H2,1H3
InChIKey :BDERNNFJNOPAEC-UHFFFAOYAO
SMILES :CCCO
cas number :71-23-8
(EINECS) number :200-746-9
eu annex :603-003-00-0
beilstein number :1098242
fema number :2928
coe number :50
jecfa number :82
fl. number :02.002
molar refractivity :17.48 ± 0.3 cm3
parachor :168.2 ± 4.0 cm3
index of refraction :1.379 ± 0.02
surface tension :24.5 ± 3.0 dyne/cm
density :0.795 ± 0.06 g/cm3
polarizability :6.93 ± 0.5 10-24cm3
XlogP : 0.30
molecular weight : 60.0950200
formula :C3 H8 O
BioActivity Analysis :48414931
NMR Predictor :Predict
 

 
export tariff code :2915.13.0000
fda reg :172.515

Suppliers :
Cargill - Alfrebro :n-PROPYL FORMATE
natural, Kosher
Fontarome :PROPYL FORMATE
Odor:  Fruity rum, ethereal
Frutarom :PROPYL FORMATE
≥99.00%, NI, Kosher
Odor:  Alcoholic, Etheral, Fruity, Sweet
Grau Aromatics :PROPYL-FORMATE
NI, Kosher
Inoue :PROPYL FORMATE
Penta :propyl formate
Sigma-Aldrich-SAFC :Propyl formate
≥97%, Kosher
Odor:  berry; green; ethereal; sweet

organoleptics :
odor type :ethereal
odor strength :medium ,
recommend smelling in a 10.00 % solution or less
odor description :
at 10.00 % in dipropylene glycol.  
sweet ethereal green rum fruity berry

properties :
appearence :colorless to pale yellow clear liquid
assay : 97.00 to 100.00 %   
additional assay information :min 97% propyl formate + propyl alcohol
Food Chemicals Codex Listed :No
specific gravity :0.90300 to 0.90900 @ 20.00 °C.
pounds per gallon - calc. : 7.523 to 7.573
refractive index :1.37500 to 1.38000 @ 20.00 °C.
melting point : -93.00 to -92.00 °C. @ 760.00 mm Hg
boiling point : 80.00 to 82.00 °C. @ 760.00 mm Hg
boiling point : 28.00 to 29.00 °C. @ 100.00 mm Hg
vapor pressure :82.60000 mm/Hg @ 25.00 °C.
vapor density :3.00 ( Air = 1 )
flash point : 27.00  °F.  TCC  ( -2.78 °C. )
logP (o/w) : 0.83

safety :
most important hazard(s) :Xi - Irritant
  R 11 - Highly flammable.
R 36/37 - Irritating to eyes and respiratory system.
R 67 - Vapours may cause frowsiness and dizziness.
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 23 - Do not breath vapour.
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 36/37/39 - Wear suitable clothing, gloves and eye/face protection.
Oral Toxicity(LD50) :
  Oral-Rat    3980.00  mg/kg
Food and Cosmetics Toxicology. Vol. 2, Pg. 327, 1964.

Oral-Mouse    3400.00  mg/kg
Food and Cosmetics Toxicology. Vol. 2, Pg. 327, 1964.

Dermal Toxicity(LD50) :
  Not determined
Inhalation Toxicity(LC50) :
  Not determined
 

safety in use :
Maximised Survey-derived Daily Intakes (MSDI-EU) :5.00 (μg/capita/day)
 
recommendation for propyl formate usage levels up to :
 not for fragrance use.
recommendation for propyl formate usage levels up to :
  85.0000 ppm in the flavor.

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
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
WISER :UN 1281
 
WGK Germany :1
 
 
 
 propyl formate
(EINECS) number :203-798-0
RTECS :LR0175000 for 110-74-7
chemidplus :000110747
EPA/NOAA CAMEO :hazardous materials
EPA Substance Registry Services :110-74-7
 
 
 propan-1-ol
(EINECS) number :200-746-9
RTECS :UH8225000 for 71-23-8
chemidplus :000071238
EPA Substance Registry Services :71-23-8
dtp/nci :30300

references :
 propyl formate
fl. number :09.073
jecfa number :117
NIST Chemistry WebBook :675392343
pubchem :151193
 propan-1-ol
fl. number :02.002
jecfa number :82
pubchem :149205

other :
VCF-Online: VCF Volatile Compounds in Food
synonyms :
 formic acid propyl ester
N-propyl formate
 propyl methanoate

soluble in :
 alcohol
 ether
 water, 22000 mg/L @ 22C

insoluble in :
 water

(odor and/or flavor) blends with :
 acetal
 acetaldehyde 1,3-octane diol acetal
 acetaldehyde benzyl 2-methoxyethyl acetal
 acetaldehyde dihexyl acetal
 acetaldehyde diisoamyl acetal
 acetaldehyde dimethyl acetal
 acetaldehyde methyl hexyl acetal
 allyl amyl glycolate
 allyl butyrate
 allyl tiglate
isoamyl benzoate
isoamyl butyrate
alpha-amyl cinnamaldehyde diethyl acetal
isoamyl formate
 amyl hexanoate
isoamyl isovalerate
isoamyl octanoate
 berry pentadienoate
 boronia absolute
 buchu mercaptan
 butyl 2-methyl butyrate
 butyl isobutyrate
isobutyl propionate
 cherry pentenoate
 citronellyl propionate
 cognac heptanone
para-cresyl isobutyrate
beta-cyclocitral
2-cyclopentyl cyclopentanone
gamma-damascone
alpha-decalactone
3-decen-2-one
9-decenoic acid
 diethyl malonate
 dimethyl succinate
6,8-dimethyl-2-nonanol
(E,E)-2,4-dodecadien-1-ol
 ethyl (E)-2-hexenoate
 ethyl (E)-2-octenoate
 ethyl (E)-4-decenoate
 ethyl 2-cyclohexyl propionate
 ethyl 2-octenoate
 ethyl 3-acetoxyhexanoate
 ethyl 3,5,5-trimethyl hexanoate
 ethyl acetoacetate
2-ethyl butyraldehyde
 ethyl formate
 ethyl methyl-para-tolyl glycidate
2-ethyl-4-butanol
 fir carboxylate
 furfuryl propionate
(E)-geranyl acetone
 geranyl isovalerate
 green dioxolane
(E,E)-2,4-heptadien-1-ol
 heptanal cyclic ethylene acetal
2-heptanol
 heptyl acetate
 heptyl isobutyrate
 hexanal propylene glycol acetal
2-hexen-1-al
(E)-2-hexen-1-al diethyl acetal
2-hexen-1-al diethyl acetal
2-hexen-1-ol
(Z)-3-hexen-1-yl (E)-2-hexenoate
(Z)-3-hexen-1-yl 2-methyl-2-pentenoate
(E)-2-hexen-1-yl acetate
(E)-3-hexen-1-yl acetate
(Z)-3-hexen-1-yl acetate
2-hexen-1-yl acetate
(E)-2-hexen-1-yl formate
(E)-2-hexen-1-yl hexanoate
(Z)-3-hexen-1-yl hexanoate
(Z)-3-hexen-1-yl isobutyrate
(Z)-3-hexen-1-yl isovalerate
(E)-2-hexen-1-yl propionate
(E)-2-hexen-1-yl valerate
(Z)-3-hexen-1-yl valerate
1-hexen-3-yl acetate
 hexyl (E)-2-hexenoate
 hexyl 2-butenoate
 hexyl acetate
 hexyl butyrate
 hexyl isobutyrate
 hexyl isovalerate
 hexyl octanoate
 hexyl pivalate
 hexyl propionate
 lily propanol
 linalyl hexanoate
 melon valerate
 methyl (E)-2-hexenoate
 methyl (E)-3-nonenoate
 methyl (E)-3-nonenoate
 methyl 2-hexenoate
 methyl 2-undecynoate
 methyl 4-pentenoate
2-methyl butyl 2-methyl butyrate
(E)-methyl geranate
 methyl heptanoate
 methyl R-3-acetoxyhexanoate
2-methyl valeraldehyde
 methyl valerate
3-methyl valeric acid
(E)-2-methyl-2-octen-1-al
2-methyl-2-octen-1-al
3-methyl-3-pentanol
 nerolidyl isobutyrate
(E,E)-3,5-octadien-2-one
 octen-1-yl cyclopentanone
 octyl 2-methyl butyrate
 papaya isobutyrate
(E)-2-penten-1-al
2-pentyl furan
 phenoxyethyl isobutyrate
4-phenyl-2-butyl acetate
 pineapple pentenoate
 prenol
 prenyl ethyl ether
 prenyl hexanoate
isopropyl 2-methyl butyrate
alpha-isopropyl phenyl acetaldehyde
 rhubarb undecane
 sorbyl isobutyrate
 tetrahydrofurfuryl butyrate
 thiogeraniol
 tiglaldehyde
 timber dioxolane
 tricyclodecyl acetate
 tropical indene
 tropical thiazole
 violet dienyne
 woody acetate

(odor and/or flavor) used in :
 apple
 berry
 cherry
 currant
 fruit
 pineapple
 plum
 rum

natural occurrence in :
apple
brandy
currant
currant black currant
pineapple
plum



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