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

ethyl 3-methyl valerate

General Material Information

Preferred name ethyl 3-methyl valerate
Trivial Name ethyl 3-methylpentanoate
Formula C8 H16 O2
CAS Number 5870-68-8
CAS Number 5870-68-8 (R)
CAS Number 5870-68-8 (S)
FEMA Number 3679
Flavis Number 9.541
ECHA Number 227-524-4
FDA UNII 0D51CRF76E
Nikkaji Number J101.334C
xLogP3-AA 2.30 (est)
NMR Predictor External link
JECFA Food Flavoring 215 ethyl 3-methylpentanoate
FDA Patent No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm 5870-68-8 ; ETHYL 3-METHYLPENTANOATE
Synonyms
  • ethyl 3-methyl pentanoate
  • ethyl 3-methylpentanoate
  • ethyl 3-methylvalerate
  • ethyl b-methylvalerate
  • ethyl-3-methyl valerate
  • 3-methylpentanoic acid ethyl ester
  • 3-methylvaleric acid ethyl esterer
  • pentanoic acid, 3-methyl-, ethyl ester
  • pineapple valerate
  • valeric acid, 3-methyl-, ethyl 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
HMDB (The Human Metabolome Database):HMDB34234
FooDB:FDB012546
Export Tariff Code:2915.90.5050
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 144.21391296387
Specific gravity @ 25 °C
Pounds per Gallon 7.173 to 7.256
Refractive Index 1.403 to 1.413 @ 20 °C
Boiling Point 155 to 156°C @ 760 mm Hg
Vapor Pressure 2.906 mmHg @ 25 °C
Flash Point TCC Value 45 °C TCC
logP (o/w) 2.65 est
Solubility
alcohol Yes
water, 356.7 mg/L @ 25 °C (est) Yes
water No

Organoleptic Properties

Odor Type: Fruity
pineapple, fruity, natural, tropical
General comment At 100.00 %. pineapple fruity
Used mostly in fruity fragrances. A pineapple, fruity odor with natural connotations

Occurrences

Potential Uses

Applications
Odor purposes Apple, Pineapple
Flavoring purposes Fruit tropical fruit

Safety Information

Safety information

Preferred SDS: View
European information :
Most important hazard(s):
Xi - Irritant
R 10 - Flammable.
R 36/37/38 - Irritating to eyes, respiratory system, and skin.
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 36 - Wear suitable protective clothing.
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 > 4000 mg/kg
(Biosphere Res Center Inc.

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 ethyl 3-methyl valerate usage levels up to:
5.0000 % in the fragrance concentrate.
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.27 (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: 13
Click here to view publication 13
average usual ppmaverage maximum ppm
baked goods: -0.10000
beverages(nonalcoholic): -0.10000
beverages(alcoholic): -0.10000
breakfast cereal: -0.10000
cheese: --
chewing gum: -0.50000
condiments / relishes: --
confectionery froastings: -0.50000
egg products: --
fats / oils: --
fish products: --
frozen dairy: -0.10000
fruit ices: -0.10000
gelatins / puddings: -0.10000
granulated sugar: --
gravies: --
hard candy: -0.10000
imitation dairy: -0.10000
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: -0.50000
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 ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :560255
National Institute of Allergy and Infectious Diseases:Data
WISER:UN 1993
WGK Germany:2
ethyl 3-methylpentanoate
Chemidplus:0005870688
ethyl (3R)-3-methylpentanoate
ethyl (3S)-3-methylpentanoate