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isoamyl valerate

Chemical Structure

General Material Information

Preferred name isoamyl valerate
Trivial Name Isoamyl valerate
Short Description isopentyl valerate
Formula C10 H20 O2
CAS Number 2050-09-1
Flavis Number 9.198
ECHA Number 218-081-8
FDA UNII 7HQJ459H95
Nikkaji Number J184.202A
MDL MFCD00085198
COE Number 648
xLogP3-AA 3.20 (est)
NMR Predictor External link
Synonyms
  • iso- amyl-valerate
  • 3-methyl butyl pentanoate
  • 3-methyl butyl valerate
  • 3-methylbutyl pentanoate
  • 3-methylbutyl valerate
  • pentanoic acid 3-methyl butyl ester
  • pentanoic acid 3-methylbutyl ester
  • pentanoic acid, 3-methylbutyl ester
  • iso pentyl valerate
  • valeric acid, 3-methylbutyl ester
  • 3-methylbutyl pentanoate
  • Valeric acid, isopentyl ester
  • Isopentyl alcohol, valerate
  • 3-Methylbutyl valerate
  • 3-Methyl-1-butyl n-valerate
  • Isopentyl pentanoate
  • Isopentyl valerate
  • Isoamyl n-valerate
  • NSC 7006

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

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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
HMDB (The Human Metabolome Database):HMDB40529
FooDB:FDB020296
Export Tariff Code:2915.60.0000
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 172.26780700684
Specific gravity @ 25 °C
Pounds per Gallon 7.139 to 7.214
Refractive Index 1.41 to 1.418 @ 20 °C
Boiling Point 185 to 186°C @ 760 mm Hg
Vapor Pressure 0.413 mmHg @ 25 °C
Vapor Density 5.9
Flash Point TCC Value 65 °C TCC
logP (o/w) 3.686 est
Solubility
alcohol Yes
water, 38.59 mg/L @ 25 °C (est) Yes
water No

Organoleptic Properties

Odor Type: Fruity
fruity, ripe, apple, green
General comment At 100.00 %. fruity ripe apple green
Flavor Type: Fruity
strawberry
General comment Strawberry

Occurrences

Potential Uses

Applications
Odor purposes Apple, Crabapple, Apricot, Banana, Blackberry, Cherry black cherry, Date, Grape, Honey, Peach blossom, Quince, Saffron
Flavoring purposes Grenadine
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 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S 36/39 - Wear suitable clothing 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:
Not determined
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 isoamyl valerate usage levels up to:
5.0000 % in the fragrance concentrate.

Safety references

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 :74901
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:2
3-methylbutyl pentanoate
Chemidplus:0002050091