Products Categories
| CAS No.: | 540-42-1 |
|---|---|
| Name: | Isobutyl propionate |
| Article Data: | 10 |
| Molecular Structure: | |
|
|
|
| Formula: | C7H14O2 |
| Molecular Weight: | 130.187 |
| Synonyms: | Propionicacid, isobutyl ester (6CI,7CI,8CI);2-Methylpropyl propanoate;2-Methylpropylpropionate;Isobutyl propanoate;Isobutyl propionate;NSC 8450; |
| EINECS: | 208-746-0 |
| Density: | 0.879 g/cm3 |
| Melting Point: | -71 °C |
| Boiling Point: | 135.1 °C at 760 mmHg |
| Flash Point: | 26.1 °C |
| Solubility: | Insoluble in water |
| Appearance: | clear colorless liquid |
| Hazard Symbols: | R10:; |
| Risk Codes: | 10 |
| Safety: | 16 |
| PSA: | 26.30000 |
| LogP: | 1.59560 |
- 81281-59-67-Benzylideneaminotheophylline
- 82993-81-5D-threo-Ritalinic acid hydrochloride
- 73441-42-6METHYL-5-CHLORO-2,2-DIMETHYLVALERATE
- 68439-39-4Poly(oxy-1,2-ethanediyl), alpha-(2-ethylhexyl)-omega-hydroxy-,
- 852475-26-4MC1568
- 958254-66-51H-Imidazo[4,5-b]pyridine-2-carboxaldehyde, 1-methyl-, hydrochloride
- 99170-93-1N-Methyl-2-oxazolamine
- 717878-06-31-(4-fluorophenyl)-4-nitro-1H-imidazole
- 914458-26-7[5-(2-fluorophenyl)-1-pentyl-1H-pyrrol-3-yl]-1-naphthalenyl-Methanone
- 548773-13-32-amino-4,6-dimethylpyrimidine-5-carboxylic acid
| Conditions | Yield |
|---|---|
| With salicylic acid resin supported FeCl3 In benzene at 125℃; for 2.2h; | 95% |
| With sodium hydrogen sulfate for 0.5h; Esterification; Heating; | 95.1% |
| With DOOl-AlCl3 superacid resin for 4.8h; Heating; | 90% |
| With zeolite HY at 120℃; for 6h; Product distribution; Further Variations:; Reagents; var. time; | 46 % Turnov. |
| With Novozym435 (lipase B from Candida antarctica; immobilized on macroporous polyacrylic resin beads) In neat (no solvent) at 40℃; for 10h; Kinetics; Temperature; Time; Concentration; Enzymatic reaction; |
| Conditions | Yield |
|---|---|
| 84% |
| Conditions | Yield |
|---|---|
| With diethyl ether; magnesium |
- 106-63-8
isobutyl acrylate
- 201230-82-2
carbon monoxide
A
- 540-42-1
isobutyl propionate
B
- 126101-13-1
2'-methylpropyl 3-oxopropionate
| Conditions | Yield |
|---|---|
| With 2,2′,6,6′-tetrakis(dipyrrolyl phosphoramidite)-1,1′-diphenyl; (acetylacetonato)dicarbonylrhodium (l) In toluene at 100℃; under 7600.51 Torr; for 1h; regioselective reaction; |
| Conditions | Yield |
|---|---|
| Heating; |
- 540-42-1
isobutyl propionate
- 347840-95-3, 890007-82-6
3-methyl-4-(3,4-dimethoxyphenyl)-1H-5-aminopyrazole
| Conditions | Yield |
|---|---|
| With acetic acid at 105℃; for 16h; | 85.71% |
- 790224-39-4
16α-hydroxy-3β-(tert-butyldimethylsiloxy)-5-androsten-17-one
- 540-42-1
isobutyl propionate
- 790224-42-9
(S)-2-[(3S,8R,9S,10R,13S,14S,16R,17S)-3-(tert-Butyl-dimethyl-silanyloxy)-16,17-dihydroxy-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-propionic acid isobutyl ester
| Conditions | Yield |
|---|---|
| Stage #1: isobutyl propionate With lithium diisopropyl amide In tetrahydrofuran; hexane at -78℃; for 0.5h; Stage #2: 16α-hydroxy-3β-(tert-butyldimethylsiloxy)-5-androsten-17-one In tetrahydrofuran; hexane at -78℃; for 5h; | 78% |
| Stage #1: isobutyl propionate With lithium diisopropyl amide In tetrahydrofuran; hexane at -78℃; for 0.5h; Stage #2: 16α-hydroxy-3β-(tert-butyldimethylsiloxy)-5-androsten-17-one In tetrahydrofuran; hexane at -78℃; | 78% |
- 870627-29-5
(3S,8R,9S,10R,13S,14S,16R)-16-Hydroxy-3-(4-methoxy-benzyloxy)-10,13-dimethyl-1,2,3,4,7,8,9,10,11,12,13,14,15,16-tetradecahydro-cyclopenta[a]phenanthren-17-one
- 540-42-1
isobutyl propionate
| Conditions | Yield |
|---|---|
| Stage #1: isobutyl propionate With lithium diisopropyl amide In tetrahydrofuran at -78℃; for 0.5h; Stage #2: (3S,8R,9S,10R,13S,14S,16R)-16-Hydroxy-3-(4-methoxy-benzyloxy)-10,13-dimethyl-1,2,3,4,7,8,9,10,11,12,13,14,15,16-tetradecahydro-cyclopenta[a]phenanthren-17-one In tetrahydrofuran at -78℃; | 73% |
| Conditions | Yield |
|---|---|
| With diethyl ether |
| Conditions | Yield |
|---|---|
| With ammonia; thorium dioxide at 470 - 480℃; |
- 54053-45-1(R)-(+)-2-CHLOROBUTANOIC ACID
- 540-54-5n-Propyl chloride
- 540-61-4AMINOACETONITRILE
- 540-67-0ETHYL METHYL ETHER
- 54068-28-9Tin, dioctylbis(2,4-pentanedionato-O,O')-
- 54076-72-1tris(4-dodecylphenyl) phosphite
- 54077-16-6Disperse Yellow 56
- 54092-09-0potassium hydrogen 1,3,4-thiadiazole-2,5-dithiolate
- 104987-11-3Tacrolimus
- 141-53-7Sodium formate
- 8001-54-5Quaternary ammonium compounds, alkylbenzyldimethyl, chlorides
- 9003-39-8Povidone
- 10161-34-9Trenbolone acetate
- 402957-28-2Telaprevir
- 68-19-9Cyanocobalamin
- Total:35 Page 1 of 1 1
What can I do for you?
Get Best Price
Chemistry
Molecular Structure:
.png)
Molecular Formula: C7H14O2
Molecular Weight: 130.1849
IUPAC Name: 2-Methylpropyl propanoate
Synonyms of Isobutyl propionate (CAS NO.540-42-1): 2-Methyl-1-propyl propanoate ; 2-Methylpropyl propanoate ; 2-Methylpropyl propionate ; 4-02-00-00709 (Beilstein Handbook Reference) ; AI3-28238 ; BRN 1745554 ; EINECS 208-746-0 ; FEMA No. 2212 ; Isobutyl propionate (natural) ; NSC 8450 ; Propanoic acid, 2-methylpropyl ester ; Propionic acid, isobutyl ester ; Isobutyl propionate [UN2394] [Flammable liquid] ; UN2394
CAS NO: 540-42-1
Classification Code: Alphabetical Listings ; Flavors and Fragrances ; I-L ; C6 to C7 ; Carbonyl Compounds ; Esters
Melting point: −71 °C
Index of Refraction: 1.404
Molar Refractivity: 36.21 cm3
Molar Volume: 147.9 cm3
Surface Tension: 25.5 dyne/cm
Density: 0.879 g/cm3
Flash Point: 26.1 °C
Enthalpy of Vaporization: 37.25 kJ/mol
Boiling Point: 135.1 °C at 760 mmHg
Vapour Pressure: 7.85 mmHg at 25°C
Uses
Isobutyl propionate (CAS NO.540-42-1) is food spices. Mainly for the preparation of rum, strawberries and other fruits flavor.
Production
Isobutyl propionate (CAS NO.540-42-1) is the direct esterification by isobutyl alcohol and propionic acid derived
Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| rabbit | LD50 | oral | 5599mg/kg (5599mg/kg) | Industrial Medicine and Surgery. Vol. 41, Pg. 31, 1972. |
Consensus Reports
Reported in EPA TSCA Inventory.
Safety Profile
Risk Statements of Isobutyl propionate (CAS NO.540-42-1): 10
R10: Flammable.
Safety Statements: 16
S16: Keep away from sources of ignition.
RIDADR: UN 2394 3/PG 3
WGK Germany: 2
RTECS: UF4930000
HazardClass: 3.2
PackingGroup: III
Mildly toxic by ingestion. Flammable when exposed to heat or flame, can react vigorously with oxidizing materials. When heated to decomposition it emits acrid smoke and irritating fumes. See also ESTERS, PROPIONIC ACID, and ISOBUTYL ALCOHOL.
Standards and Recommendations
DOT Classification: 3; Label: Flammable Liquid