2-methyl butyl acetate
Suppliers  organoleptics  properties  safety  references    FEMA Index    Home Page
 
Right Click Jmol Molecule For More Options. (Safari 1.2 (v125) Compatible). Jmol is a free download found Here.
 
IUPAC name :2-methylbutyl acetate
InChI :InChI=1/C7H14O2/c1-4-6(2)5-9-7(3)8/h6H,4-5H2,1-3H3
InChIKey :XHIUFYZDQBSEMF-UHFFFAOYAU
SMILES :CCC(C)COC(=O)C
cas number :624-41-9
(EINECS) number :210-843-8
eu annex :607-130-00-2
fema number :3644
coe number :10762
jecfa number :138
fl. number :09.286
molar refractivity :36.21 ± 0.3 cm3
parachor :332.7 ± 4.0 cm3
index of refraction :1.404 ± 0.02
surface tension :25.5 ± 3.0 dyne/cm
density :0.879 ± 0.06 g/cm3
polarizability :14.35 ± 0.5 10-24cm3
XlogP : 1.90
molecular weight : 130.1848600 (IUPAC)
formula :C7 H14 O2
pherobase floral:view
NMR Predictor :Predict
 
 
export tariff code :2915.39.9050
fda reg :unspecified
Suppliers :
Advanced Biotech :2-methyl butyl acetate
98% min. natural
Odor:  Apple, Banana, Pear
Apple :2-Methylbutyl acetate
Cargill :2-METHYL BUTYL ACETATE
natural, Kosher
Odor:  Fruity, Banana
Grau Aromatics :METHYL-2-BUTYL-ACETATE
FCC, NI, Kosher
Hofmen :D-2-Methylbutyl acetate
99%, (naturals)
Moellhausen :2-methyl butyl acetate
98% min. nature identical kosher
Odor:  estery, fruity, banana, pear, sweet
Penta :2-methyl butyl acetate
Penta :2-methyl butyl acetate
natural
SAFC Global® :2-Methylbutyl acetate
99%, Kosher
Odor:  banana; peanut
SAFC Global® :2-Methylbutyl acetate
≥94%, natural, Kosher, FG
Odor:  banana; peanut
Symrise :Methyl butyl acetate-2
natural
Flavor:  fruity, sweet, estery
Ungerer :2-Methyl Butyl Acetate
organoleptics :
odor type :fruity
odor strength :medium
odor description:
at 100.00 %.  		over ripe fruit sweet banana juicy fruit
odor description:
Sweet, banana, fruity, ripe, estry and tropical with a juicy, fruit-like note
Mosciano, Gerard P&F 23, No. 2, 43, (1998)
taste description:
at 20.00 ppm.  		Sweat, banana, fruity, estry and ripe with a juicy fruit note
Mosciano, Gerard P&F 23, No. 2, 43, (1998)
properties :
appearence :colorless to pale yellow clear liquid
assay : 95.00 to 100.00 %   
Food Chemicals Codex Listed :Yes
specific gravity :0.87200 to 0.87700 @ 25.00 °C.
pounds per gallon - calc. : 7.256 to 7.298
refractive index :1.39900 to 1.40400 @ 20.00 °C.
boiling point : 138.00 °C. @ 741.00 mm Hg
boiling point : 140.00 °C. @ 760.00 mm Hg
acid value : 1.00  max.  KOH/g
flash point : 95.00  °F.  TCC  ( 35.00 °C. )
logP (o/w) : 2.26
safety :
most important hazard(s) :Xi - Irritant
  R 10 - Flammable.
R 36/38 - Irritating to skin and eyes.
S 02 - Keep out of the reach of children.
S 16 - Keep away from sources of ignition - No Smoking.
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.
Oral Toxicity(LD50) : 
  Not determined
Dermal Toxicity(LD50) : 
  Not determined
Inhalation Toxicity(LC50) : 
  Not determined
 
safety in use :
Category :flavor and fragrance agents
Maximised Survey-derived Daily Intakes (MSDI-EU) :130.00 (μg/capita/day)
 
recommendation for 2-methyl butyl acetate fragrance usage levels up to :
  2.0000 % in the fragrance concentrate.
recommendation for 2-methyl butyl acetate flavor 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
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
WISER :UN 1104
 
WGK Germany :1
 
 
 
 
2-methylbutyl acetate
(EINECS) number :210-843-8
RTECS :EL5466666 for cas# 624-41-9
chemidplus :000624419
EPA Substance Registry Services :624-41-9
references :
 
2-methylbutyl acetate
fl. number :09.286
jecfa number :138
NIST Chemistry WebBook :1059558158
pubchem :155529
Flavornet :624-41-9
other :
VCF-Online: VCF Volatile Compounds in Food
FDA Everything Added to Food in the United States (EAFUS)View
synonyms :
2-methyl-1-butanol acetate
2-methyl-1-butyl acetate
2-methylbutyl acetate
soluble in :
 alcohol
insoluble in :
 water
potential blenders :    note
 allyl cyclohexyl acetateFL/FR
 allyl heptanoateFL/FR
 allyl isovalerateFL/FR
 allyl octanoateFL/FR
 allyl propionateFL/FR
 allyl salicylateFR
 amyl acetateFL/FR
isoamyl acetateFL/FR
 amyl butyrateFL/FR
isoamyl butyrateFL/FR
 amyl heptanoateFL/FR
isoamyl heptanoateFL/FR
isoamyl hexanoateFL/FR
 amyl isobutyrateFL/FR
isoamyl isobutyrateFL/FR
isoamyl isovalerateFL/FR
isoamyl propionateFL/FR
 amyl valerateFL/FR
isoamyl valerateFL/FR
 apple crotonateFR
 benzyl propionateFL/FR
isobutyl 2-butenoateFL/FR
 butyl acetateFL/FR
isobutyl acetateFL/FR
 butyl isobutyrateFL/FR
isobutyl propionateFL/FR
 cognac heptanoneFL/FR
 cyclohexyl formateFL/FR
 cyclohexyl isovalerateFL/FR
 cyclohexyl propionateFL/FR
 diethyl maleateFL
 dihydroactinidolideFL
 ethyl (E)-2-octenoateFL
 ethyl 3-oxohexanoateFL
2-ethyl butyl acetateFL/FR
 ethyl butyrateFL/FR
 ethyl hexanoateFL/FR
 ethyl methyl mercaptopropionateFL/FR
 ethyl octanoateFL/FR
 ethyl propionateFL/FR
 fruity carboxylateFR
 furfuryl acetateFL/FR
 furfuryl isovalerateFL
 furfuryl propionateFL
 furfuryl valerateFL
(Z)-3-hepten-1-yl acetateFL/FR
(E)-2-hexen-1-alFL/FR
(E)-2-hexen-1-olFL/FR
(E)-3-hexen-1-yl acetateFL/FR
(Z)-3-hexen-1-yl acetateFL/FR
(E)-2-hexen-1-yl butyrateFL/FR
(E)-2-hexen-1-yl isovalerateFL/FR
(E)-2-hexen-1-yl valerateFL
(Z)-3-hexen-1-yl valerateFL/FR
 hexyl acetateFL/FR
 hexyl formateFL/FR
 hexyl isobutyrateFL/FR
 hexyl isovalerateFL/FR
 linalyl butyrateFL/FR
 methyl (E)-2-hexenoateFL
 methyl 4-methyl valerateFL
 methyl butyrateFL
 methyl thiol isovalerateFL
3-methyl valeric acidFL
(Z)-6-nonen-1-olFL/FR
(E)-2-octen-1-alFL/FR
(Z)-5-octen-1-yl propionateFL/FR
 orange oilFL/FR
 orange peel oil bitter terpenelessFL/FR
 orange peel oil sweet c.p. californiaFL/FR
 orange peel oil sweet c.p. floridaFL/FR
 orange peel oil sweet c.p. valenciaFL/FR
 orange peel oil sweet distilledFL/FR
 papaya isobutyrateFL/FR
2-pentanoneFL/FR
 phenethyl hexanoateFL/FR
 pineapple hydroxyhexanoateFL/FR
 pineapple pentenoateFL/FR
 prenyl acetateFL/FR
isopropyl acetateFL/FR
isopropyl butyrateFL/FR
 propyl heptanoateFL/FR
 propyl hexanoateFL/FR
 propyl isobutyrateFL/FR
isopropyl octanoateFL/FR
isopropyl propionateFL/FR
 raspberry ketoneFL/FR
beta-sinensalFL/FR
 styralyl butyrateFL/FR
 violet methyl carbonateFR
potential uses :
 apple
 banana
 cherry
 fruit
 fruit juicy fruit
 melon honeydew
 melon watermelon muskmelon cantaloupe
 nut peanut
 peach
 pineapple
 tropical
 tutti frutti
natural occurrence in :    note
 apple  
 apple juice  
 banana  
 grape concord grape  
PbMdmalus sieversii S
 musa sapientum l. S
 pear  
 pimento berry S
 strawberry S
 wine white 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 © 1980-2010 The Good Scents Company Disclaimer Privacy Policy
Html Last modified 03/10/2010