CAS No.624-41-9,2-Methylbutyl acetate Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	624-41-9
Name:	2-Methylbutyl acetate
Article Data:	17

Formula:	C₇H₁₄O₂
Molecular Weight:	130.187
Synonyms:	1-Butanol,2-methyl-, acetate (6CI,7CI,8CI,9CI);2-Methyl-1-butyl acetate;2-Methylbutylacetate;
EINECS:	210-843-8
Density:	0.879 g/cm³
Melting Point:	-74.65°C (estimate)
Boiling Point:	135.1 °C at 760 mmHg
Flash Point:	35 °C
Appearance:	colorless to light yellow liquid.
Hazard Symbols:	R10:; R66:;
Risk Codes:	10-66
Safety:	23-25
Transport Information:	UN 1104
PSA:	26.30000
LogP:	1.59560

Synthetic route

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

: 141-78-6
ethyl acetate

: 624-41-9
2-methylbutyl acetate

Conditions

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

: 110-86-1
pyridine

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

: 75-36-5
acetyl chloride

: 624-41-9
2-methylbutyl acetate

Conditions

Conditions	Yield
With diethyl ether

...Expand

: 616-13-7
1-chloro-2-methylbutane

: 127-08-2
potassium acetate

: 624-41-9
2-methylbutyl acetate

Conditions

Conditions	Yield
With acetic acid at 190 - 200℃;

: 1565-80-6
(2S)-2-methyl-1-butanol

: 75-36-5
acetyl chloride

: 624-41-9
2-methylbutyl acetate

Conditions

Conditions	Yield
at 0℃; active pentyl acetate;

: 82834-27-3
3-N-nitroso-N-acetylaminopentane

: 64-19-7
acetic acid

A: 624-41-9
2-methylbutyl acetate

B: 626-38-0
2-Pentyl acetate

C: 620-11-1
3-pentyl acetate

Conditions

Conditions	Yield
at 25℃; for 48h;

...Expand

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

: 75-36-5
acetyl chloride

: 624-41-9
2-methylbutyl acetate

Conditions

Conditions	Yield
With sodium hydride 1.) 2 h, reflux, 2.) 1 h, reflux; Multistep reaction;
With pyridine

: 108-24-7
acetic anhydride

methylethyl-methyl carbinol: methylethyl-methyl carbinol

: 624-41-9
2-methylbutyl acetate

Conditions

Conditions	Yield
at 100℃; acetate of inactive methylethyl-methyl carbinol;

: 78-78-4
methylbutane

: 624-41-9
2-methylbutyl acetate

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: Chlorierung 2: glacial acetic acid / 190 - 200 °C View Scheme

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

: 624-41-9
2-methylbutyl acetate

Conditions

Conditions	Yield
With dmap

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

: 72-89-9
acetylcoenzyme A

: 624-41-9
2-methylbutyl acetate

Conditions

Conditions	Yield
With sodium metabisulfite; Origanum dayi alcohol acetyl transferase In glycerol at 30℃; for 0.5h; pH=7.5; Reactivity; Reagent/catalyst; Enzymatic reaction;

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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