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 |
Leffingwell: | Chirality or Article |
methyl 2-(3-oxo-2-pent-2-enylcyclopentyl)acetate | |
NIST Chemistry WebBook: | Search Inchi |
Canada Domestic Sub. List: | 39924-52-2 |
Pubchem (cid): | 62388 |
Pubchem (sid): | 135117987 |
(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 |
Metabolomics Database: | Search |
KEGG (GenomeNet): | C11512 |
HMDB (The Human Metabolome Database): | HMDB36583 |
FooDB: | FDB015494 |
Export Tariff Code: | 2915.39.9500 |
Typical G.C. | |
VCF-Online: | VCF Volatile Compounds in Food |
ChemSpider: | View |
Wikipedia: | View |
Preferred name | methyl jasmonate |
Trivial Name | Methyl 3-oxo-2-(2-penten-1-yl)cyclopentaneacetate |
Short Description | jasmoneige |
Formula | C13 H20 O3 |
CAS Number | 39924-52-2 |
Flavis Number | 9.521 |
ECHA Number | 254-705-5 |
FDA UNII | Search |
MDL | MFCD00151382 |
COE Number | 10821 |
xLogP3-AA | 1.90 (est) |
NMR Predictor | External link |
JECFA Food Flavoring | 1400 methyl jasmonate |
Synonyms |
|
Material listed in food chemical codex | No |
Molecular weight | 224.30000305176 |
Specific gravity | @ 25 °C |
Pounds per Gallon | 8.446 to 8.529 |
Refractive Index | 1.47 to 1.476 @ 20 °C |
Boiling Point | 302 to 303°C @ 760 mm Hg |
Vapor Pressure | 0.001 mmHg @ 25 °C |
Vapor Density | 1 |
Flash Point TCC Value | 110 °C TCC |
logP (o/w) | 2.945 est |
Solubility | |
alcohol | Yes |
water, very slightly | Yes |
water, 143.5 mg/L @ 25 °C (est) | Yes |
Stability | |
APC: 0.5 - 1% | Unspecified |
candle: 0.5 - 1% | Unspecified |
detergent: 0.5 - 1% | Unspecified |
fine fragrances: 0.5 - and up | Unspecified |
shampoo: 0.5 - 1% | Unspecified |
shower gel: 0.5 - 1% | Unspecified |
soap: 0.5 - 1% | Unspecified |
softener: 0.5 - 1% | Unspecified |
Odor Type: Floral | |
jasmin, floral, oily, green, petal, soft, greasy | |
Odor strength | medium |
Substantivity | 256 hour(s) at 100.00 % |
Luebke, William tgsc, (1988) | At 100.00 %. jasmin flower oily green petal soft greasy |
Flavor Type: Floral | |
floral, fruity, magnolia, green, jasmin, oily, kiwi, melon | |
Luebke, William tgsc, (1988) | Floral fruity magnolia green jasmin oily kiwi melon |
Floral (jasmine) notes for peach, apricot, grape, and other flavors. | Floral, jasmine notes |
General comment | Floral fruity green waxy seedy melon |
(data available) |
Applications | |
Odor purposes | Apple , Apricot , Floral , Gardenia , Herbal , Honeysuckle , Jasmin , Lilac , Lily , Lily of the valley , Melon , Peach , Pear , Floral , Plum , Valerian |
Flavoring purposes | Valerian |
Other purposes | Grease |
Cosmetic purposes | Perfuming agents |
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 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: | |
Not determined | |
Dermal Toxicity: | |
Not determined | |
Inhalation Toxicity: | |
Not determined |
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 methyl jasmonate usage levels up to: | |||
20.0000 % in the fragrance concentrate. | |||
Maximised Survey-derived Daily Intakes (MSDI-EU): | 26.00 (μg/capita/day) | ||
Maximised Survey-derived Daily Intakes (MSDI-USA): | 0.40 (μg/capita/day) | ||
Structure Class: | II |
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 9, Revision 1: (FGE.09 Rev1)[1] - Secondary alicyclic saturated and unsaturated alcohols, ketones and esters containing secondary alicyclic alcohols from chemical groups 8 and 30, and an ester of a phenol carboxylic acid from chemical group 25 - Scientific Opinion of the Panel on Food Additives, Flavourings, Processing Aids and Materials in Contact with Food View page or View pdf |
Flavouring Group Evaluation 9, Revision 2 (FGE.09Rev2): Secondary alicyclic saturated and unsaturated alcohols, ketones and esters containing secondary alicyclic alcohols from chemical group 8 and 30, and an ester of a phenol derivative from chemical group 25 View page or View pdf |
EPI System: View |
AIDS Citations:Search |
Cancer Citations:Search |
Toxicology Citations:Search |
EPA Substance Registry Services (TSCA):39924-52-2 |
EPA ACToR:Toxicology Data |
EPA Substance Registry Services (SRS):Registry |
Laboratory Chemical Safety Summary :62388 |
National Institute of Allergy and Infectious Diseases:Data |
WGK Germany:3 |
methyl 2-(3-oxo-2-pent-2-enylcyclopentyl)acetate |
Chemidplus:0039924522 |