Product Name

  • Name

    2-Methylbutyl acetate

  • EINECS 210-843-8
  • CAS No. 624-41-9
  • Article Data17
  • CAS DataBase
  • Density 0.879 g/cm3
  • Solubility
  • Melting Point -74.65°C (estimate)
  • Formula C7H14O2
  • Boiling Point 135.1 °C at 760 mmHg
  • Molecular Weight 130.187
  • Flash Point 35 °C
  • Transport Information UN 1104
  • Appearance colorless to light yellow liquid.
  • Safety 23-25
  • Risk Codes 10-66
  • Molecular Structure Molecular Structure of 624-41-9 (2-Methylbutyl acetate)
  • Hazard Symbols R10:; R66:;
  • Synonyms 1-Butanol,2-methyl-, acetate (6CI,7CI,8CI,9CI);2-Methyl-1-butyl acetate;2-Methylbutylacetate;
  • PSA 26.30000
  • LogP 1.59560

Synthetic route

(+/-)-2-methyl-1-butanol
137-32-6

(+/-)-2-methyl-1-butanol

ethyl acetate
141-78-6

ethyl acetate

2-methylbutyl acetate
624-41-9

2-methylbutyl acetate

Conditions
ConditionsYield
sodium hydrogen sulfate; silica gel for 1h; Heating;99%
With Novozyme-435 at 20℃; for 48h; Time; Sealed tube; Enzymatic reaction;
pyridine
110-86-1

pyridine

(+/-)-2-methyl-1-butanol
137-32-6

(+/-)-2-methyl-1-butanol

acetyl chloride
75-36-5

acetyl chloride

2-methylbutyl acetate
624-41-9

2-methylbutyl acetate

Conditions
ConditionsYield
With diethyl ether
...Expand
1-chloro-2-methylbutane
616-13-7

1-chloro-2-methylbutane

potassium acetate
127-08-2

potassium acetate

2-methylbutyl acetate
624-41-9

2-methylbutyl acetate

Conditions
ConditionsYield
With acetic acid at 190 - 200℃;
(2S)-2-methyl-1-butanol
1565-80-6

(2S)-2-methyl-1-butanol

acetyl chloride
75-36-5

acetyl chloride

2-methylbutyl acetate
624-41-9

2-methylbutyl acetate

Conditions
ConditionsYield
at 0℃; active pentyl acetate;
3-N-nitroso-N-acetylaminopentane
82834-27-3

3-N-nitroso-N-acetylaminopentane

acetic acid
64-19-7

acetic acid

A

2-methylbutyl acetate
624-41-9

2-methylbutyl acetate

B

2-Pentyl acetate
626-38-0

2-Pentyl acetate

C

3-pentyl acetate
620-11-1

3-pentyl acetate

Conditions
ConditionsYield
at 25℃; for 48h;
...Expand
(+/-)-2-methyl-1-butanol
137-32-6

(+/-)-2-methyl-1-butanol

acetyl chloride
75-36-5

acetyl chloride

2-methylbutyl acetate
624-41-9

2-methylbutyl acetate

Conditions
ConditionsYield
With sodium hydride 1.) 2 h, reflux, 2.) 1 h, reflux; Multistep reaction;
With pyridine
acetic anhydride
108-24-7

acetic anhydride

methylethyl-methyl carbinol

methylethyl-methyl carbinol

2-methylbutyl acetate
624-41-9

2-methylbutyl acetate

Conditions
ConditionsYield
at 100℃; acetate of inactive methylethyl-methyl carbinol;
methylbutane
78-78-4

methylbutane

2-methylbutyl acetate
624-41-9

2-methylbutyl acetate

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: Chlorierung
2: glacial acetic acid / 190 - 200 °C
View Scheme
(+/-)-2-methyl-1-butanol
137-32-6

(+/-)-2-methyl-1-butanol

2-methylbutyl acetate
624-41-9

2-methylbutyl acetate

Conditions
ConditionsYield
With dmap
(+/-)-2-methyl-1-butanol
137-32-6

(+/-)-2-methyl-1-butanol

acetylcoenzyme A
72-89-9

acetylcoenzyme A

2-methylbutyl acetate
624-41-9

2-methylbutyl acetate

Conditions
ConditionsYield
With sodium metabisulfite; Origanum dayi alcohol acetyl transferase In glycerol at 30℃; for 0.5h; pH=7.5; Reactivity; Reagent/catalyst; Enzymatic reaction;
2-Methylbutyraldehyde
96-17-3, 57456-98-1

2-Methylbutyraldehyde

2-methylbutyl acetate
624-41-9

2-methylbutyl acetate

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: NADPH / 30 °C / Enzymatic reaction
2: alcohol O-acyltransferase-1 / 30 °C / Enzymatic reaction
View Scheme
acetyl Coenzyme A

acetyl Coenzyme A

(+/-)-2-methyl-1-butanol
137-32-6

(+/-)-2-methyl-1-butanol

2-methylbutyl acetate
624-41-9

2-methylbutyl acetate

Conditions
ConditionsYield
With alcohol O-acyltransferase-1 at 30℃; Enzymatic reaction;
2-oxo-3(RS)-methylvaleric acid
1460-34-0

2-oxo-3(RS)-methylvaleric acid

2-methylbutyl acetate
624-41-9

2-methylbutyl acetate

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1: α-ketoisovalerate decarboxylase / 30 °C / Enzymatic reaction
2: NADPH / 30 °C / Enzymatic reaction
3: alcohol O-acyltransferase-1 / 30 °C / Enzymatic reaction
View Scheme
2-methylbutyl acetate
624-41-9

2-methylbutyl acetate

ethyl 3,4-dimethoxy-α-(3,4-dimethoxybenzyl)cinnamate

ethyl 3,4-dimethoxy-α-(3,4-dimethoxybenzyl)cinnamate

6-ethoxycarbonyl-5-((2-methyl)-butoxycarbonylmethyl)-2,3,9,10-tetramethoxy-5H-dibenzo[a,c]cycloheptene
1267491-57-5

6-ethoxycarbonyl-5-((2-methyl)-butoxycarbonylmethyl)-2,3,9,10-tetramethoxy-5H-dibenzo[a,c]cycloheptene

Conditions
ConditionsYield
Stage #1: ethyl 3,4-dimethoxy-α-(3,4-dimethoxybenzyl)cinnamate With molybdenum(V) chloride; titanium tetrachloride In dichloromethane at 0 - 20℃; Inert atmosphere;
Stage #2: 2-methylbutyl acetate With triethylamine In dichloromethane at 20℃; Cooling with ice;		55%
2-methylbutyl acetate
624-41-9

2-methylbutyl acetate

glass wool

glass wool

A

2-methyl-but-2-ene
513-35-9

2-methyl-but-2-ene

B

2-Methyl-1-butene
563-46-2

2-Methyl-1-butene

C

acetone
67-64-1

acetone

Conditions
ConditionsYield
at 500℃; Pyrolysis;
...Expand
2-methylbutyl acetate
624-41-9

2-methylbutyl acetate

A

acetic acid-(2-hydroxy-2-methyl-butyl ester)
42125-49-5

acetic acid-(2-hydroxy-2-methyl-butyl ester)

B

1-Acetoxy-2-methyl-3-butanone
13515-64-5

1-Acetoxy-2-methyl-3-butanone

Conditions
ConditionsYield
With perfluoro-cis-2-n-butyl-3-n-propyloxaziridine In trichlorofluoromethane at 20℃; for 24h;

2-Methylbutyl acetate Specification

The 1-Butanol, 2-methyl-, 1-acetate, with the CAS registry number of 624-41-9, is also known as 2-Methyl-1-butanoacetate and 2-Methyl-1-butyl acetate. It belongs to the product categories of Certified Natural Products Flavors and Fragrances; M-N; Alphabetical Listings; Flavors and Fragrances; M-N Flavors and Fragrances; Prepackaged Samples. Its EINECS registry number is 210-843-8. This chemical's molecular formula is C7H14O2 and molecular weight is 130.18. What's more, its IUPAC name is 2-Methylbutyl acetate. This chemical's classification codes are TWA (50 ppm); STEL (100 ppm). In addition, it must be stored in airtight containers and placed in a dry and cool place. Besides, it should avoid contact with oxidant and ignition source.

Physical properties about 1-Butanol, 2-methyl-, 1-acetate are: (1)ACD/LogP: 2.12; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.12; (4)ACD/LogD (pH 7.4): 2.12; (5)ACD/BCF (pH 5.5): 23.99; (6)ACD/BCF (pH 7.4): 23.99; (7)ACD/KOC (pH 5.5): 338.4; (8)ACD/KOC (pH 7.4): 338.4; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.404; (14)Molar Refractivity: 36.21 cm3; (15)Molar Volume: 147.9 cm3; (16)Polarizability: 14.35×10-24 cm3; (17)Surface Tension: 25.5 dyne/cm; (18)Density: 0.879 g/cm3; (19)Flash Point: 35 °C; (20)Enthalpy of Vaporization: 37.25 kJ/mol; (21)Boiling Point: 135.1 °C at 760 mmHg; (22)Vapour Pressure: 7.85 mmHg at 25 °C.

Preparation: this chemical is prepared by reaction of 2-Methyl-butan-1-ol with Acetic acid ethyl ester at heating. The reaction needs catalyst NaHSO4-SiO2. The reaction time is 1 hour. The yield is about 99 %.

When you are using this chemical, please be cautious about it as the following:
As a chemical, it is flammable. What’s more, the vapour of this chemical can not be breathed. And you should avoid contacting with eyes. Besides, it may cause skin dryness or cracking.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OCC(C)CC)C
(2) InChI: InChI=1/C7H14O2/c1-4-6(2)5-9-7(3)8/h6H,4-5H2,1-3H3
(3) InChIKey: XHIUFYZDQBSEMF-UHFFFAOYAU

Related Products

Hot Products

Post buying leads

About|Contact|Cas|Product Name|Molecular|Country|Encyclopedia

Message|New Cas|MSDS|Service|Advertisement|CAS DataBase|Article Data|Manufacturers | Chemical Catalog

©2008 LookChem.com,License: ICP

NO.:Zhejiang16009103

complaints:service@lookchem.com Desktop View