We have found 46587 results matching your criteria.
Please wait while we search...
  1. 1.
    General Material Information
  2. 2.
    PhysChem Properties
  3. 3.
    Occurrences
  4. 4.
    Organoleptic Properties
  5. 5.
    Suppliers
  6. 6.
    Potential Uses
  7. 7.
    Regulatory & Documentation
  8. 8.
    Safety Information
  9. 9.
    Other Information
  10. 10.
    Blenders & Components
  11. 11.
    Literature & References

2-methyl butyl isovalerate

Chemical Structure

General Material Information

Preferred name 2-methyl butyl isovalerate
Trivial Name 2-Methylbutyl isovalerate
Short Description 2-methylbutyl isovalerate
Formula C10 H20 O2
CAS Number 2445-77-4
FEMA Number 3506
Flavis Number 9.531
ECHA Number 219-496-7
FDA UNII 7G5TZ5034W
Nikkaji Number J102.393D
MDL MFCD00209537
COE Number 10772
xLogP3-AA 3.10 (est)
NMR Predictor External link
JECFA Food Flavoring 204 2-methylbutyl 3-methylbutanoate
FDA Patent No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm 2445-77-4 ; 2-METHYLBUTYL ISOVALERATE
Synonyms
  • butanoic acid, 3-methyl-, 2-methylbutyl ester
  • butyric acid, 3-methyl-, 2-methylbutyl ester
  • 3-methyl butanoic acid 2-methyl butyl ester
  • methyl butyl 2-isovalerate
  • 2-methyl butyl 3-methyl butanoate
  • 2-methyl butyl 3-methyl butyrate
  • 2-methyl butyl iso valerate
  • 2-methyl butyl isopentanoate
  • 2 methyl butyl isovalerate
  • 2-methyl butyl isovalerianate
  • methyl-2-butyl-iso-valerate
  • 3-methylbutanoic acid 2-methylbutyl ester
  • 3-methylbutanoic acid, 2-methylbutyl ester
  • 2-methylbutyl 3-methylbutanoate
  • 2-methylbutyl 3-methylbutyrate
  • 2-methylbutyl isopentanoate
  • 2-methylbutyl isovalerate
  • 2-methylbutyl isovalerate natural
  • 2-methylbutyl isovalerianate
  • sherry isovalerate
  • iso valeric acid 2-methyl butyl ester
  • iso valeric acid, 2-methylbutyl ester
  • 2-methylbutyl 3-methylbutanoate
  • Isovaleric acid, 2-methylbutyl ester
  • 2-Methylbutyl isovalerate
  • 2-Methylbutyl 3-methylbutyrate
  • 3-Methylbutyric acid 2-methylbutyl ester

US / EU / FDA / JECFA / FEMA / Scholar / Patents

Google Scholar Start search
Google Books Start search
Google Patents Start search
Perfumer & Flavorists Start search
EU Patents Start search
PubMeb Start search
NCBI Start search

Other Information

(IUPAC):Atomic Weights of the Elements 2011 (pdf)
Videos:The Periodic Table of Videos
tgsc:Atomic Weights use for this web site
(IUPAC):Periodic Table of the Elements
FDA Substances Added to Food (formerly EAFUS):View
CHEMBL:View
HMDB (The Human Metabolome Database):HMDB38038
FooDB:FDB017248
Export Tariff Code:2915.60.0000
Typical G.C.
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View

PhysChem Properties

Material listed in food chemical codex Yes
Molecular weight 172.26780700684
Specific gravity @ 25 °C
Pounds per Gallon
Boiling Point 191 to 195°C @ 760 mm Hg
Acid Value 2 max KOH/g
Vapor Pressure 0.713 mmHg @ 25 °C
Vapor Density 5.9
Flash Point TCC Value 61.67 °C TCC
logP (o/w) 3.53 est
Solubility
alcohol Yes
fixed oils Yes
water, 44.59 mg/L @ 25 °C (est) Yes
water No

Organoleptic Properties

Odor Type: Fruity
herbal, fruity, earthy, cheesy, apple, green, sweaty, apple skin, winey, cognac
General comment At 100.00 %. herbal fruity earthy cheese apple green
Mosciano, Gerard P&F 25, No. 6, 26, (2000) At 1.00 %. Fruity, sweaty, cheesy, slightly green, with a heavy apple skin, winey and cognac nuance
Flavor Type: Fruity
fruity, estery, berry, apple, tutti frutti
Mosciano, Gerard P&F 25, No. 6, 26, (2000) At 5.00 - 15.00 ppm. Fruity, estry with a berry, apple and tutti frutti nuance

Occurrences

Potential Uses

Applications
Odor purposes Apple, Blueberry, Cherry, Cognac, Earth, Grape, Pear, Peppermint, Pineapple, Spearmint, Strawberry
Flavoring purposes Tropical
Cosmetic purposes Perfuming agents

Safety Information

Safety information

Preferred SDS: View
European information :
Most important hazard(s):
Xi - Irritant
R 36/38 - Irritating to skin and eyes.
S 02 - Keep out of the reach of children.
S 24/25 - Avoid contact with skin and eyes.
S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S 37/39 - Wear suitable gloves and eye/face protection.
Hazards identification
Classification of the substance or mixture
GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)
None found.
GHS Label elements, including precautionary statements
Pictogram
Hazard statement(s)
None found.
Precautionary statement(s)
None found.
Oral/Parenteral Toxicity:
oral-rat LD50 > 5000 mg/kg
(Moreno,1978b)

Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined

Safety in use information

Category:
flavor and fragrance agents
RIFM Fragrance Material Safety Assessment: Search
IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice
Recommendation for 2-methyl butyl isovalerate usage levels up to:
4.0000 % in the fragrance concentrate.
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.73 (μg/capita/day)
Use levels for FEMA GRAS flavoring substances on which the FEMA Expert Panel based its judgments that the substances are generally recognized as safe (GRAS).
The Expert Panel also publishes separate extensive reviews of scientific information on all FEMA GRAS flavoring substances and can be found at FEMA Flavor Ingredient Library
publication number: 10
Click here to view publication 10
average usual ppmaverage maximum ppm
baked goods: -18.20000
beverages(nonalcoholic): -11.00000
beverages(alcoholic): -50.00000
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: -14.50000
egg products: --
fats / oils: --
fish products: --
frozen dairy: -11.00000
fruit ices: -11.00000
gelatins / puddings: -11.00000
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: --

Safety references

European Food Safety Athority(EFSA):Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies...

European Food Safety Authority (EFSA) reference(s):

Flavouring Group Evaluation 1, Revision 1 (FGE.01Rev 1): Branched-chain aliphatic saturated aldehydes, carboxylic acids and related esters of primary alcohols and branched-chain carboxylic acids from chemical groups 1 and 2 (Commission Regulation (EC) No 1565/2000 of 18 July 2000) - Scientific Opinion of the Panel on Food Additives, Flavourings, Processing Aids and Materials in contact with Food (AFC) on a request from the Commission
View page or View pdf

Flavouring Group Evaluation 01 Rev2 (FGE.01 Rev2): Branched-chain aliphatic saturated aldehydes, carboxylic acids and related esters of primary alcohols and branched-chain carboxylic acids from chemical groups 1 and 2
View page or View pdf

EPI System: View
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA Substance Registry Services (TSCA):2445-77-4
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :62445
National Institute of Allergy and Infectious Diseases:Data
WISER:UN 1993
WGK Germany:3
2-methylbutyl 3-methylbutanoate
Chemidplus:0002445774