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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
Molecular Weight:
172.26
MDL Number:
MFCD00048369
MOL File:
659-70-1.mol
MSDS File:
SDS
Last updated:2023-11-02 19:56:47

3-Methylbutyl 3-methylbutanoate Properties

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℃
JECFA Number 50
Merck 14,5121
LogP 3.8 at 35℃
CAS DataBase Reference 659-70-1(CAS DataBase Reference)
Substances Added to Food (formerly EAFUS) ISOAMYL ISOVALERATE
FDA 21 CFR 172.515
EWG's Food Scores 1
FDA UNII 16M1VA1FJY
NIST Chemistry Reference Butanoic acid, 3-methyl-, 3-methylbutyl ester(659-70-1)
EPA Substance Registry System 3-Methylbutyl isovalerate (659-70-1)

SAFETY

Risk and Safety Statements

Symbol(GHS)  GHS hazard pictograms
GHS09
Signal word  Warning
Hazard statements  H411
Precautionary statements  P273-P391-P501
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
NFPA 704
2
2 0

3-Methylbutyl 3-methylbutanoate price More Price(26)

Manufacturer Product number Product description CAS number Packaging Price Updated Buy
Sigma-Aldrich W208515 Isoamyl Isovalerate natural, ≥98%, FCC, FG 659-70-1 100g $139 2024-03-01 Buy
Sigma-Aldrich W208515 Isoamyl Isovalerate natural, ≥98%, FCC, FG 659-70-1 1kg $306 2024-03-01 Buy
Sigma-Aldrich W208515 Isoamyl Isovalerate natural, ≥98%, FCC, FG 659-70-1 4kg $942 2024-03-01 Buy
Sigma-Aldrich W208507 Isoamyl Isovalerate ≥98%, FCC, FG 659-70-1 sample-k $54.6 2024-03-01 Buy
Sigma-Aldrich W208507 Isoamyl Isovalerate ≥98%, FCC, FG 659-70-1 1kg $76.5 2024-03-01 Buy
Product number Packaging Price Buy
W208515 100g $139 Buy
W208515 1kg $306 Buy
W208515 4kg $942 Buy
W208507 sample-k $54.6 Buy
W208507 1kg $76.5 Buy

3-Methylbutyl 3-methylbutanoate Chemical Properties,Uses,Production

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.

Definition

ChEBI: Isoamyl isovalerate is a fatty acid ester.

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

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

123-51-3
503-74-2
659-70-1
Synthesis of 3-Methylbutyl 3-methylbutanoate from 3-Methyl-1-butanol
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View Lastest Price from 3-Methylbutyl 3-methylbutanoate manufacturers

Image Update time Product Price Min. Order Purity Supply Ability Manufacturer
3-Methylbutyl 3-methylbutanoate pictures 2023-11-02 3-Methylbutyl 3-methylbutanoate
659-70-1
US $0.00-0.00 / kg 1kg 99% 50000kg Hebei Yibangte Import and Export Co. , Ltd.
3-Methylbutyl 3-methylbutanoate pictures 2023-09-06 3-Methylbutyl 3-methylbutanoate
659-70-1
US $0.00 / KG 1KG 99% 500000kg Hebei Guanlang Biotechnology Co., Ltd.
3-Methylbutyl 3-methylbutanoate pictures 2023-08-26 3-Methylbutyl 3-methylbutanoate
659-70-1
US $0.00 / KG 1KG 99% 50000KG/month Hebei Mojin Biotechnology Co., Ltd
Butanoicacid,3-methyl-,3-methylbutylester Isoamyl valerianate iso-Amylvalerianate Isopentyl 3-methylbutyrate Isovaleric acid, isopentyl ester isovalericacid,isopentylester -Methylbutyl-3-methylbutanoate Solusterol ISOVALERIC ACID ISOAMYL ESTER ISOAMYL ISOVALERATE 98+% NATURAL FCC ISOAMYL ISOVALERATE 98+% FCC 3-Methylbutylisovalerat ISOAMYLISOVALERIANAT ISOAMYL ISOVALERATE, NATURAL Isovaleric acid isoamyl Isovaleric acid isopentyl ISOAMYL ISOPENTANOATE 2(3)-METHYL BUTANOIC-1-ACID:2(3)-METHYL BUTYL-1-ESTER 3-Methylbutyl 3-methylbutanoate 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 (3-methyl-1-butyl)3-methylbutanoate 3-methyl-butanoicaci3-methylbutylester 3-methyl-butanoicacid3-methyl-butylester 3-methylbutanoicacid3-methylbutylester Apple oil Iso-Amyl Iso-Valerate(N) Isoamyl isovalerate, 99%, mixture of isomers Iso-Amyl Isovalerat Natural Isoamyl Isovalerate IsoamylIsovalerate> 3-Methylbutyl 3-methylbutanoate USP/EP/BP Isoamyl isovalerate(kosher) Appleoil Isopentyl 3-methylbutanoate AMYL VALERATE ISOPENTYL ISOPENTANOATE ISOPENTYL ISOVALERATE ISOAMYL ISOVALERATE FEMA 2085 3-METHYLBUTYL 3-METHYLBUTYRATE Isoamyl Isovalerianate ISO AMYL ISO VALEARATE 659-70-1 89957-48-5 629-70-1 CH32CHCH2CO2CH2CH2CHCH32 C4H9COOC5H11 C4H9COOCH22CHCH32 Alphabetical Listings Certified Natural ProductsFlavors and Fragrances Flavors and Fragrances I-L