2-methyl butyl 2-methyl butyrate

2-methylbutyl 2-methylbutyrate

CAS: 2445-78-5 C10 H20 O2 MW: 172.26780000 fruity fruity

Identification

Name2-methyl butyl 2-methyl butyrate
IUPAC2-methylbutyl 2-methylbutanoate
CAS Number2445-78-5
EINECS219-497-2
FDA UNIIHYC739X7BP
Molecular FormulaC10 H20 O2
Molecular Weight172.26780000
MDL NumberMFCD00059395
Nikkaji NumberJ102.392F
CoE Number10773

Regulatory

JECFA Food Flavoring212 2-methylbutyl 2-methylbutyrate
DG SANTE Food Flavourings09.516 2-methylbutyl 2-methylbutyrate
FEMA Number3359
FDANo longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF)2445-78-5 ; 2-METHYLBUTYL 2-METHYLBUTYRATE

Physical Properties

Appearance colorless to pale yellow clear liquid (est)
Assay 90.00 to 100.00
Additional Assay Information 2-methylbutyl isovalerate 5% - 10%
Food Chemicals Codex Listed No
Specific Gravity 0.84700 to 0.85600 @ 25.00 °C.
Pounds per Gallon - (est). 7.048 to 7.123
Refractive Index 1.40100 to 1.42000 @ 20.00 °C.
Boiling Point 70.00 to 72.00 °C. @ 11.00 mm Hg, 184.00 to 187.00 °C. @ 760.00 mm Hg
Vapor Pressure 0.713000 mmHg @ 25.00 °C. (est)
Flash Point 153.00 °F. TCC ( 67.22 °C. )
logP (o/w) 3.530 (est)
Soluble in alcohol
Insoluble in water
Similar Items note

Organoleptic Properties

Odor Description
at 10.00 % in dipropylene glycol.
Sweet, fruity, estry, with green waxy nuances
Taste Description at 30.00 ppm.

Safety Information

Preferred SDSView
European informationMost important hazard(s):
Oral/Parenteral ToxicityNot determined
Dermal ToxicityNot determined
Inhalation ToxicityNot determined

GHS Classification

['GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)', 'GHS Label elements, including precautionary statements']

Safety in Use

Categoryflavor and fragrance agents
RIFM Fragrance Material Safety AssessmentSearch
Recommendation for 2-methyl butyl 2-methyl butyrate usage levels up to5.0000 % in the fragrance concentrate.
Maximised Survey-derived Daily Intakes (MSDI-EU)3.00 (μg/capita/day)
baked goods-
beverages(nonalcoholic)-
beverages(alcoholic)-
breakfast cereal-
cheese-
chewing gum-
condiments / relishes-
confectionery froastings-
egg products-
fats / oils-
fish products-
frozen dairy-
fruit ices-
gelatins / puddings-
granulated sugar-
gravies-
hard candy-
imitation dairy-
instant coffee / tea-
jams / jellies-
meat products-
milk products-
nut products-
other grains-
poultry-
processed fruits-
processed vegetables-
reconstituted vegetables-
seasonings / flavors-
snack foods-
soft candy-
soups-
sugar substitutes-
sweet sauces-

Alfrebro LLC/ Archer Daniels Midland Company

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Potential Uses

FR apple FR banana FR berry FR grape FR melon FR peach FR pineapple FR plum FL/FR valerian

Natural Occurrence

apple fruit PMC apricot fruit chamomile garden chamomile plant chamomile roman chamomile oil cocoa bean cupuassu feijoa fruit filbert roasted filbert heracleum paphlagonicum czeczott fruit oil turkey @ 0.10% Data hop oil horsemint shoot lovage leaf melon PMC myrtle berry myrtle leaf peppermint oil mongolia @ 0.07% Data spearmint oil

Synonyms

butanoic acid, 2-methyl-, 2-methylbutyl ester butyric acid, 2-methyl-, 2-methylbutyl ester hops butyrate 2- methyl butanoic acid 2-methyl butyl ester methyl butyl (2) 2 methyl butyrate 2- methyl butyl 2-methyl butanoate 2- methyl butyl-2-methyl butyrate 2- methyl butyric acid 2-methyl butyl ester methyl-2-butyl-2-methylbutyrate 2- methylbutanoic acid 2-methylbutyl ester 2- methylbutanoic acid, 2-methylbutyl ester 2- methylbutyl 2-methylbutanoate 2- methylbutyl 2-methylbutyrate D-2- methylbutyl 2-methylbutyrate nat.2- methylbutyl 2-methylbutyrate nat.D-2- methylbutyl 2-methylbutyrate 2- methylbutyl 2-methylbutyrate natural 2- methylbutyl DL-2-methylbutyrate 2- methylbutyl-2-methyl butyrate 2- methylbutyl-2-methyl butyrate natural 2- methylbutyl-2-methylbutyrate natural 2- methylbutyl-D-2-methylbutyrate 2- methylbutyric acid 2-methylbutyl ester DL-2- methylbutyric acid 2-methylbutyl ester PubMed: Biodegradation of C5-C 8 fatty acids and production of aroma volatiles by Myroides sp. ZB35 isolated from activated sludge. PubMed: Effects of extracts of Humulus lupulus (hops) and Yucca schidigera applied alone or in combination with monensin on rumen fermentation and microbial populations in vitro. PubMed: In-tube extraction and GC-MS analysis of volatile components from wild and cultivated sea buckthorn (Hippophae rhamnoides L. ssp. Carpatica) berry varieties and juice. PubMed: Biodegradation of gasoline ether oxygenates. PubMed: Fragrance material review on 2-methyl-4-phenyl-2-butyl acetate. PubMed: Early leaf removal impact on volatile composition of Tempranillo wines. PubMed: Volatile composition of four southern highbush blueberry cultivars and effect of growing location and harvest date. PubMed: Pharmacological actions of oximino-propofol analogues at GABA(B) autoreceptors. PubMed: Comparison of volatile components in Chinese traditional pickled peppers using HS-SPME-GC-MS, GC-O and multivariate analysis. PubMed: Identification of a pheromone regulating caste differentiation in termites. PubMed: Formulations of dietary supplements and herbal extracts for relaxation and anxiolytic action: Relarian. PubMed: Impact of thermal and nonthermal processing technologies on unfermented apple cider aroma volatiles. PubMed: Modulation of PPAR receptor subtype selectivity of the ligands: aliphatic chain vs aromatic ring as a spacer between pharmacophore and the lipophilic moiety. PubMed: Eubacterium limosum activates isoxanthohumol from hops (Humulus lupulus L.) into the potent phytoestrogen 8-prenylnaringenin in vitro and in rat intestine. PubMed: Effects of traditionally used anxiolytic botanicals on enzymes of the gamma-aminobutyric acid (GABA) system. PubMed: Pathway analysis of branched-chain ester biosynthesis in apple using deuterium labeling and enantioselective gas chromatography-mass spectrometry. PubMed: Evidence that the beta-acids fraction of hops reduces central GABAergic neurotransmission. PubMed: Genes involved in the methyl tert-butyl ether (MTBE) metabolic pathway of Mycobacterium austroafricanum IFP 2012. PubMed: Effects of beer and hop on ionotropic gamma-aminobutyric acid receptors. PubMed: Aroma extract dilution analysis of cv. Meeker (Rubus idaeus L.) red raspberries from Oregon and Washington. PubMed: Human adipocyte fatty acid-binding protein (aP2) gene promoter-driven reporter assay discriminates nonlipogenic peroxisome proliferator-activated receptor gamma ligands. PubMed: A novel selective peroxisome proliferator-activated receptor alpha agonist, 2-methyl-c-5-[4-[5-methyl-2-(4-methylphenyl)-4-oxazolyl]butyl]-1,3-dioxane-r-2-carboxylic acid (NS-220), potently decreases plasma triglyceride and glucose levels and modifies lipoprotein profiles in KK-Ay mice. PubMed: Medicinal chemistry and molecular pharmacology of GABA(C) receptors. PubMed: Character impact odorants of the apple cultivars Elstar and Cox Orange. PubMed: Effect of 1-methylcyclopropene on volatile emission and aroma in cv. Anna apples. PubMed: Biosynthesis of strawberry aroma compounds through amino acid metabolism. PubMed: Aromatic profile of aqueous banana essence and banana fruit by gas chromatography-mass spectrometry (GC-MS) and gas chromatography-olfactometry (GC-O). PubMed: Biotransformation of MTBE, ETBE, and TAME after inhalation or ingestion in rats and humans. PubMed: Toxicokinetics of methyl tert-butyl ether and its metabolites in humans after oral exposure. PubMed: Metabolism of ethyl tiglate in apple fruits leads to the formation of small amounts of (R)-ethyl 2-methylbutanoate. PubMed: Biotransformation and kinetics of excretion of methyl-tert-butyl ether in rats and humans. PubMed: 13C(2)-Labeled methyl tert-butyl ether: toxicokinetics and characterization of urinary metabolites in humans. PubMed: GC and GC-MS determination of fluoroacetic acid and phenoxy acid herbicides via triphasal extractive pentafluorobenzylation using a polymer-bound phase-transfer catalyst. PubMed: Assimilation of volatiles from ripe apples by Sporidiobolus salmonicolor and Tilletiopsis washingtonensis. PubMed: Inhibitory effect of antioxidants ethoxyquin and 2(3)-tert-butyl-4-hydroxyanisole on hepatic tumorigenesis in rats fed ciprofibrate, a peroxisome proliferator.