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isojasmone

Chemical Structure

General Material Information

Preferred name isojasmone
Trivial Name 2-Hexyl-2-cyclopenten-1-one
Short Description 2-hexyl-2-cyclopenten-1-one
Formula C11 H18 O
CAS Number 95-41-0
FEMA Number 3552
ECHA Number 202-417-5
FDA UNII VSY2Y3L5M0
Nikkaji Number J55.445F
Beilstein Number 1931570
COE Number 167
xLogP3-AA 3.50 (est)
Bio Activity Summary External link
NMR Predictor External link
FDA Patent No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm 11050-62-7 ; ISOJASMONE
Synonyms
  • 2-cyclopenten-1-one, 2-hexyl-
  • dihydro-isojasmone
  • 2-hexyl cyclopent-2-enone
  • hexyl cyclopentenone
  • 2-hexyl-2-cyclopenten-1-one
  • 2-N- hexyl-2-cyclopenten-1-one
  • 2-hexyl-2-cyclopenten-1-one and 2-hexylidene cyclopentanone
  • 2-hexyl-2-cyclopentenone
  • 2-hexylcyclopent-2-en-1-one
  • 2-hexylcyclopent-2-enone
  • 2-hexylidene cyclopentanone and 2-hexyl-2-cyclopenten-1-one
  • iso jasmone 88
  • iso jasmone B 11 (Givaudan)
  • iso jasmone B-11 (Givaudan)
  • iso jasmone HQ (PFW)
  • iso jasmone natural
  • iso jasmone pure
  • iso jasmone T (PFW)
  • jasmonis
  • 2-methyl-3-pent-2-enyl cyclopent-2-enone and isomeric ketones
  • 2-hexylcyclopent-2-en-1-one
  • 2-Cyclopenten-1-one, 2-hexyl-
  • 2-Hexyl-2-cyclopenten-1-one
  • Dihydroisojasmone
  • 2-Hexyl-2-cyclopentenone
  • 2-Hexyl-1-cyclopenten-3-one
  • Isojasmol
  • NSC 78462
  • 2-n-Hexyl-2-cyclopentenone
  • 2-Hexyl-2-cyclopenten-1-on

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
FDA Substances Added to Food (formerly EAFUS):View
HMDB (The Human Metabolome Database):Search
Export Tariff Code:2914.29.0000
ChemSpider:View

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 166.26365661621
Specific gravity @ 25 °C
Pounds per Gallon 7.589 to 7.655
Refractive Index 1.47 to 1.48 @ 20 °C
Boiling Point 279 to 281°C @ 760 mm Hg
Acid Value 2 max KOH/g
Vapor Pressure 0.016 mmHg @ 25 °C
Vapor Density 5.7
Flash Point TCC Value 100 °C TCC
logP (o/w) 2.849 est
Solubility
alcohol Yes
water, 43.35 mg/L @ 25 °C (est) Yes
water No
Stability
hand cream Good
deo pump spray Good
detergent powder Excellent
liquid bleach Unstable
liquid detergent Excellent
hair spray Unspecified
non-discoloring in most media Unspecified
cream rinse Moderate
fabric softener Moderate
shampoo Moderate
soap Moderate

Organoleptic Properties

Odor Type: Floral
sweet, floral, herbal, woody, jasmin, celery, fresh, dry, waxy
Odor strength medium , recommend smelling in a 10.00 % solution or less
Substantivity 32 hour(s) at 100.00 %
Luebke, William tgsc, (1985) At 10.00 % in dipropylene glycol. sweet floral herbal woody jasmin celery fresh dry waxy
Flavor Type: Green
green, spicy, floral, lactonic, herbal, celery, waxy, creamy
Luebke, William tgsc, (1985) Green spicy floral lactonic herbal celery waxy creamy
Sweet, fruity, cream notes for a variety of flavors including coconut, peach, apricot, and mango. Strong, lactonic, fruity, creamy with some celery notes

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 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 5000 mg/kg
With its powerful, natural effect, Isojasmone B 11 is widely used in jasmine and floral bouquets. It brings natural volume to top and core notes. Isojasmone B 11 also blends well with quinolines in chypre accords.

intravenous-mouse LD50 320 mg/kg
U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#00920

Dermal Toxicity:
skin-rabbit LD50 > 5000 mg/kg
U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#00920

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 isojasmone usage levels up to:
3.0000 % in the fragrance concentrate.
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.37 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA): 0.01 (μg/capita/day)
Structure Class: II
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: 11
Click here to view publication 11
average usual ppmaverage maximum ppm
baked goods: -2.30000
beverages(nonalcoholic): -1.60000
beverages(alcoholic): -10.00000
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: -1.90000
fruit ices: --
gelatins / puddings: -1.90000
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: -2.50000
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 212: alpha,beta-Unsaturated alicyclic ketones and precursors from chemical subgroup 2.6 of FGE.19
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 212 Revision 1 (FGE.212Rev1): alpha,beta-Unsaturated alicyclic ketones and precursors from chemical subgroup 2.6 of FGE.19.
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 212 Revision 3 (FGE.212Rev3): a,ß-unsaturated alicyclic ketones and precursors from chemical subgroup 2.6 of FGE.19
View page or View pdf

Flavouring Group Evaluation 51, Revision 2 (FGE.51Rev2): Consideration of alicyclic ketones and secondary alcohols and related esters evaluated by JECFA (59th meeting) structurally related to alicyclic ketones secondary alcohols and related esters in FGE.09Rev6 (2015)
View page or View pdf

EPI System: View
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA Substance Registry Services (TSCA):95-41-0
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :66768
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:2
2-hexylcyclopent-2-en-1-one
Chemidplus:0000095410