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ChemicalBook > CAS DataBase List > 3-Methylbutyl 3-methylbutanoate

3-Methylbutyl 3-methylbutanoate

Aroma
Product Name
3-Methylbutyl 3-methylbutanoate
CAS No.
659-70-1
Chemical Name
3-Methylbutyl 3-methylbutanoate
Synonyms
ISOAMYL ISOVALERATE;AMYL VALERATE;ISOPENTYL ISOVALERATE;Appleoil;FEMA 2085;ISOPENTYL ISOPENTANOATE;Isopentyl 3-methylbutanoate;3-METHYLBUTYL 3-METHYLBUTYRATE;Apple oil;Solusterol
CBNumber
CB7433818
Molecular Formula
C10H20O2
Formula Weight
172.26
MOL File
659-70-1.mol
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3-Methylbutyl 3-methylbutanoate Property

Melting point:
-58.15°C
Boiling point:
192-193 °C (lit.)
Density 
0.854 g/mL at 25 °C (lit.)
vapor pressure 
0.8 hPa (20 °C)
FEMA 
2085 | ISOAMYL ISOVALERATE
refractive index 
n20/D 1.412(lit.)
Flash point:
152 °F
storage temp. 
Sealed in dry,Room Temperature
solubility 
0.016g/l
form 
clear liquid
color 
Colorless to Almost colorless
Odor
at 100.00 %. sweet fruity green ripe apple jammy tropical
Odor Type
fruity
Water Solubility 
48.1mg/L at 20℃
Merck 
14,5121
JECFA Number
50
LogP
3.8 at 35℃
CAS DataBase Reference
659-70-1(CAS DataBase Reference)
NIST Chemistry Reference
Butanoic acid, 3-methyl-, 3-methylbutyl ester(659-70-1)
EPA Substance Registry System
3-Methylbutyl isovalerate (659-70-1)
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Safety

Hazard Codes 
Xi
Risk Statements 
36/37/38
Safety Statements 
26-36/37/39
WGK Germany 
2
RTECS 
NY1508000
HS Code 
2915 60 90
Toxicity
LD50 orally in Rabbit: > 5000 mg/kg LD50 dermal Rabbit > 5000 mg/kg
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Hazard and Precautionary Statements (GHS)

Symbol(GHS)
Signal word
Warning
Hazard statements

H411Toxic to aquatic life with long lasting effects

Precautionary statements

P273Avoid release to the environment.

P391Collect spillage. Hazardous to the aquatic environment

P501Dispose of contents/container to..…

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N-Bromosuccinimide Price

Sigma-Aldrich
Product number
W208515
Product name
Isoamyl Isovalerate
Purity
natural, ≥98%, FCC, FG
Packaging
100g
Price
$139
Updated
2024/03/01
Sigma-Aldrich
Product number
W208515
Product name
Isoamyl Isovalerate
Purity
natural, ≥98%, FCC, FG
Packaging
1kg
Price
$306
Updated
2024/03/01
Sigma-Aldrich
Product number
W208515
Product name
Isoamyl Isovalerate
Purity
natural, ≥98%, FCC, FG
Packaging
4kg
Price
$942
Updated
2024/03/01
Sigma-Aldrich
Product number
W208507
Product name
Isoamyl Isovalerate
Purity
≥98%, FCC, FG
Packaging
sample-k
Price
$54.6
Updated
2024/03/01
Sigma-Aldrich
Product number
W208507
Product name
Isoamyl Isovalerate
Purity
≥98%, FCC, FG
Packaging
1kg
Price
$76.5
Updated
2024/03/01
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3-Methylbutyl 3-methylbutanoate Chemical Properties,Usage,Production

Aroma

Peculiar fruity odor reminiscent of ripe apples, or more like the overwhelmingly choking odor of apples stored in a warehouse, almost a "fermented" apple odor. Fresh-fruity taste, reminiscent of apple rind. Also of raspberry.
Finds extensive use of 3-Methylbutyl 3-methylbutanoate in flavor compositions, primarily in imitation Apple, and in the related "wine" or "Champagne" type imitation flavors for soft candy, beverages, etc. Further as a modifier in imitation Apricot, Banana, Cherry, Honey, Peach, Pineapple, Mango, Raspberry, Strawberry, Walnut - and in combination flavors such as Cream Soda, Tutti. frutti, Rum and in Vanilla. A specific use is the application in imitation Gooseberry flavor. Concentrations are usually around 50-60 ppm, except in chewing gum, where it may be as high as 400 ppm. (Calculated on functional consumer product).

Description

Isoamyl isovalerate has a characteristic fruity odor and a sweet apple-like flavor. May be prepared by passing vapors of isoamyl alcohol and isovaleric aldehyde over a copper uranium based catalyst at 240 - 280°C in the presence of hydrogen.

Chemical Properties

Isoamyl isovalerate has a fruity, sweet, apple, apricot, mango-characteristic fruity odor and sweet-apple-like flavor.

Occurrence

Reported found in the ether oil from leaves of Eucalyptus microcorys, angelica root oil and mastic gum leaf and fruit oils. Also reported in wine, oil of hop, olive oil, banana, tomato, peppermint and spearmint oil, beer, rum, whiskies, cider, sherry, plum, quince, cherimoya and lamb’s lettuce.

Uses

Isopentyl 3-Methylbutanoate is used in method for preparing essence compound of olfactory recognition book suitable for olfactory sense of Chines.

Uses

As apple essence for flavoring liqueurs and candy.

Production Methods

3-Methylbutyl 3-methylbutanoate can be produced by:
1) direct esterification of iso-Amyl alcohol with iso-Valerie acid under azeotropic conditions. 2) controlled oxidation of iso-Amyl alcohol with Potassium bichromate-Sulfuric acid mixture.

Preparation

By passing vapors of isoamyl alcohol and isovaleric aldehyde over a copper–uranium-based catalyst at 240 to 280°C in the presence of hydrogen

Definition

ChEBI: Isoamyl isovalerate is a fatty acid ester.

Aroma threshold values

Detection: 20 ppb; aroma characteristics at 1.0% in ethanol: sweet, fruity, green apple and estry.

Taste threshold values

Taste characteristics at 15 ppm: green, fruity, estry, apple, pineapple and tutti-frutti

Synthesis Reference(s)

The Journal of Organic Chemistry, 52, p. 4319, 1987 DOI: 10.1021/jo00228a032

General Description

Isoamyl isovalerate is an apple flavor volatile compound mainly found in apple and banana. It is used as a flavoring agent in chewing gums, candies and baked goods.

Biochem/physiol Actions

Taste at 1.0 ppm

3-Methylbutyl 3-methylbutanoate Preparation Products And Raw materials

Raw materials

Isovaleraldehyde FUMING SULFURIC ACID Calcium chloride URANIUM Potassium dichromate -3-pentanol FUSEL OIL 3-Methyl-1-butanol (2S)-1-(3-Acetylthio-2-methyl-1-oxopropyl)-L-proline

Preparation Products

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View Lastest Price from 3-Methylbutyl 3-methylbutanoate manufacturers

Hebei Zhuanglai Chemical Trading Co.,Ltd
Product
3-Methylbutyl 3-methylbutanoate 659-70-1
Price
US $10.00/kg
Min. Order
1kg
Purity
99%
Supply Ability
20ton
Release date
2024-05-31
WUHAN FORTUNA CHEMICAL CO., LTD
Product
Isoamyl isovalerate 659-70-1
Price
US $0.00/KG
Min. Order
25KG
Purity
99%min
Supply Ability
30tons/month
Release date
2023-01-14
Hebei Weibang Biotechnology Co., Ltd
Product
3-Methylbutyl 3-methylbutanoate 659-70-1
Price
US $10.00/kg
Min. Order
1kg
Purity
99%
Supply Ability
100 mt
Release date
2024-11-13

659-70-1, 3-Methylbutyl 3-methylbutanoateRelated Search:

Isovaleric acid FEMA 3498 Butyl isovalerate Propyl isovalerate CYCLOHEXYL ISOVALERATE Isobutyl isovalerate Benzyl isocyanate ISOSTEARYL ALCOHOL 3-Methyl-2-buten-1-ol 3-Methyl-2-buten-1-thiol FEMA 2871 Propyl isocyanate Isotretinoin FEMA 2302 Ethyl isovalerate BENZYL ISOVALERATE Methyl isovalerate ISOVALERIC ANHYDRIDE

  • (3-methyl-1-butyl)3-methylbutanoate
  • 3-methyl-butanoicaci3-methylbutylester
  • 3-methyl-butanoicacid3-methyl-butylester
  • 3-methylbutanoicacid3-methylbutylester
  • Apple oil
  • Appleoil
  • Butanoicacid,3-methyl-,3-methylbutylester
  • Isoamyl valerianate
  • iso-Amylvalerianate
  • Isopentyl 3-methylbutanoate
  • Isopentyl 3-methylbutyrate
  • Isovaleric acid, isopentyl ester
  • isovalericacid,isopentylester
  • -Methylbutyl-3-methylbutanoate
  • Solusterol
  • Iso-Amyl Iso-Valerate（N）
  • ISOVALERIC ACID ISOAMYL ESTER
  • AMYL VALERATE
  • ISOAMYL ISOVALERATE 98+% NATURAL FCC
  • ISOAMYL ISOVALERATE 98+% FCC
  • 3-Methylbutylisovalerat
  • ISOAMYLISOVALERIANAT
  • ISOAMYL ISOVALERATE, NATURAL
  • Isovaleric acid isoamyl
  • Isovaleric acid isopentyl
  • ISOPENTYL ISOPENTANOATE
  • ISOPENTYL ISOVALERATE
  • ISOAMYL ISOPENTANOATE
  • ISOAMYL ISOVALERATE
  • FEMA 2085
  • 2(3)-METHYL BUTANOIC-1-ACID:2(3)-METHYL BUTYL-1-ESTER
  • 3-Methylbutyl 3-methylbutanoate
  • 3-METHYLBUTYL 3-METHYLBUTYRATE
  • 3-METHYLBUTYL ISOVALERATE
  • 3-methylbutyric acid isoamyl ester
  • IsoaMyl isovalerate, Mixture of isoMers
  • Isovaleric Acid Isoamyl Ester Isopentyl Isovalerate Isovaleric Acid Isopentyl Ester
  • 3-METHYLBUTYL ISOVALERATE FOR SYNTHESIS
  • Isopentyl Isovalerate Isovaleric Acid Isoamyl Ester Isovaleric Acid Isopentyl Ester Isopentyl isopentanoate 3-Methylbutyl 3-methylbutanoate
  • Isoamyl isovalerate, 99%, mixture of isomers
  • Iso-Amyl Isovalerat
  • Natural Isoamyl Isovalerate
  • IsoamylIsovalerate&gt
  • 3-Methylbutyl 3-methylbutanoate USP/EP/BP
  • Isoamyl isovalerate(kosher)
  • Isoamyl Isovalerianate
  • ISO AMYL ISO VALEARATE
  • 659-70-1
  • 89957-48-5
  • 629-70-1
  • CH32CHCH2CO2CH2CH2CHCH32
  • C4H9COOC5H11
  • C4H9COOCH22CHCH32
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