propyl acetate
Suppliers  organoleptics  properties  safety  references  cosmetics    FEMA Index    Home Page
 
Right Click Picture For More Options. (Safari 1.2 (v125) Compatible).
 
IUPAC name :propyl acetate
InChI :InChI=1/C5H10O2/c1-3-4-7-5(2)6/h3-4H2,1-2H3
InChIKey :YKYONYBAUNKHLG-UHFFFAOYAC
SMILES :CCCOC(=O)C
cas number :109-60-4
(EINECS) number :203-686-1
eu annex :607-024-00-6
beilstein number :1740764
fema number :2925
coe number :192
jecfa number :126
fl. number :09.002
molar refractivity :26.98 ± 0.3 cm3
parachor :255.8 ± 4.0 cm3
index of refraction :1.387 ± 0.02
surface tension :24.8 ± 3.0 dyne/cm
density :0.891 ± 0.06 g/cm3
polarizability :10.69 ± 0.5 10-24cm3
XlogP : 1.00
molecular weight : 102.1317000
formula :C5 H10 O2
BioActivity Analysis :48415093
NMR Predictor :Predict
 
 
export tariff code :2915.39.4510
fda reg :172.515
177.1200

Suppliers :
Advanced Biotech :propyl acetate
98% min. natural
Odor:  Pear, Raspberry
Berje :N-Propyl Acetate
Cargill - Alfrebro :n-PROPYL ACETATE (EU NAT)
natural, Kosher
Cargill - Alfrebro :n-PROPYL ACETATE
natural, Kosher
Frutarom :NATURAL PROPYL ACETATE
≥95.00%, natural, Kosher
Odor:  Fruity, Fusel, Pear
Frutarom :PROPYL ACETATE
≥96.00%, NI, Kosher
Odor:  Fruity, Fusel, Pear
Grau Aromatics :PROPYL-ACETATE
FCC, NI, Kosher
Mane :propyl acetate
Penta :propyl acetate
Penta :propyl acetate
natural
Sigma-Aldrich-SAFC :Propyl acetate
≥98%, Kosher
Odor:  celery
Sigma-Aldrich-SAFC :Propyl acetate
≥97%, natural, FCC, Kosher, FG
Odor:  celery

organoleptics :
odor type :solvent
odor strength :medium ,
recommend smelling in a 10.00 % solution or less
odor description :
at 10.00 % in dipropylene glycol.  
solvent celery fruity fusel raspberry pear

properties :
appearence :colorless clear liquid
assay : 98.00 to 100.00 %   
Food Chemicals Codex Listed :Yes
specific gravity :0.88000 to 0.88600 @ 25.00 °C.
pounds per gallon - calc. : 7.322 to 7.372
refractive index :1.38200 to 1.38700 @ 20.00 °C.
melting point : -95.00 °C. @ 760.00 mm Hg
boiling point : 101.00 to 102.00 °C. @ 760.00 mm Hg
boiling point : 32.00 to 33.00 °C. @ 50.00 mm Hg
acid value : 1.00  max.  KOH/g
vapor pressure :35.90000 mm/Hg @ 25.00 °C.
vapor density :3.5 ( Air = 1 )
flash point : 55.00  °F.  TCC  ( 12.78 °C. )
logP (o/w) : 1.24

safety :
most important hazard(s) :Xi - Irritant
  R 11 - Highly flammable.
R 36 - Irritating to eyes.
R 67 - Vapours may cause frowsiness and dizziness.
S 02 - Keep out of the reach of children.
S 16 - Keep away from sources of ignition - No Smoking.
S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S 29 - Do not empty into drains.
S 33 - Take precautionary measures against static discharge.
S 36 - Wear suitable protective clothing.
Oral Toxicity(LD50) :
  Oral-Rat    9370.00  mg/kg
Food and Cosmetics Toxicology. Vol. 2, Pg. 327, 1964.

Oral-Rabbit    6640.00  mg/kg
Industrial Medicine and Surgery. Vol. 41, Pg. 31, 1972.

Oral-Mouse    8300.00  mg/kg
Food and Cosmetics Toxicology. Vol. 2, Pg. 327, 1964.

Intraperitoneal-Mouse    1420.00  mg/kg
Shell Chemical Company. Unpublished Report. Vol. -, Pg. 8, 1961.

Dermal Toxicity(LD50) :
  Skin-Rabbit  >20.00  ml/kg
Union Carbide Data Sheet. Vol. 1/25/1965

Inhalation Toxicity(LC50) :
  Not determined
 

safety in use :
Maximised Survey-derived Daily Intakes (MSDI-EU) :180.00 (μg/capita/day)
 
recommendation for propyl acetate usage levels up to :
 not for fragrance use.
recommendation for propyl acetate usage levels up to :
  20.0000 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
NIOSH International Chemical Safety Cards :search
NIOSH Pocket Guide :search
NLM Hazardous Substances Data Bank :search
Toxicology Citations :Search
Env. Mutagen Info. Center :Search
NLM Developmental and Reproductive Toxicity :Search
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
WISER :UN 1276
 
WGK Germany :1
 
 
 
 propyl acetate
(EINECS) number :203-686-1
RTECS :109-60-4
chemidplus :000109604
EPA/NOAA CAMEO :hazardous materials
EPA Substance Registry Services :109-60-4
dtp/nci :72025

references :
 propyl acetate
fl. number :09.002
jecfa number :126
NIST Chemistry WebBook :413543883
pubchem :151111

Cosmetics :
Cosmetic uses : perfuming agents
solvents

other :
CosIng :cosmetic data
VCF-Online: VCF Volatile Compounds in Food
Household Products : Search
synonyms :
 acetic acid N-propyl ester
 acetic acid propyl ester
1-acetoxypropane
1-propyl acetate
N-propyl acetate
 propyl ethanoate
N-propyl ethanoate

soluble in :
 alcohol
 water, 18900 mg/L @ 20C

insoluble in :
 water

(odor and/or flavor) blends with :
 allyl nonanoate
isoamyl acetoacetate
 amyl alcohol
isoamyl alcohol
isoamyl laurate
 amyl octanoate
isoamyl tiglate
2-amyl-5 or 6-keto-1,4-dioxane
 benzaldehyde dimethyl acetal
 berry pentadienoate
 butyl acetoacetate
isobutyl acetoacetate
 butyl alcohol
isobutyl alcohol
 butyl angelate
 butyl anthranilate
isobutyl decanoate
 butyl formate
 butyl hexanoate
isobutyl propionate
 butyl undecylenate
isobutyraldehyde propylene glycol acetal
 clary sage concrete
 cognac oil green
 cognac oil white
 diethyl 1-malate
 diethyl laevo-tartrate
 diethyl malate
 diethyl sebacate
 dimethyl anthranilate
 ethyl 3,5,5-trimethyl hexanoate
 ethyl aconitate
 ethyl chrysanthemate
 ethyl decanoate
 ethyl heptanoate
 ethyl isovalerate
 ethyl nonanoate
 ethyl octanoate
 ethyl salicylate
2-ethyl-4-butanol
 farnesyl acetone
 fig crotonate
 geranyl acetoacetate
 heptanal
 hexanol
2-hexanol
(Z)-3-hexen-1-yl butyrate
 hexyl isobutyrate
 hexyl nonanoate
 hexyl phenyl acetate
 methyl 2-methyl butyrate
 methyl citronellate
 methyl decanoate
 methyl hydrocinnamate
 methyl nonanoate
2-methyl-1-butanol
 opoponax oil
 opoponax resinoid
2-pentanol
2-pentanone
 phenethyl senecioate
 propionaldehyde
 propyl alcohol
 propyl heptanoate
 sorbyl butyrate
 sorbyl propionate
 terpinyl cinnamate

(odor and/or flavor) used in :
 apple
 banana
 berry
 celery
 cucumber
 currant
 honey miel
 melon watermelon muskmelon cantaloupe
 nectarine
 pear emperor pear
 raspberry
 solvents

natural occurrence in :
brandy cherry brandy
ginger
nectarine
sake
wine plum wine



information only - not sold by The Good Scents Company.



Please share your Information / Comments.

Your email Address:



Top of Page          The Good Scents Company Home

Copyright © 1980-2009 The Good Scents Company Disclaimer Privacy Policy
Html Last modified 08/05/2009