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lemon hexadiene

General Material Information

Preferred name lemon hexadiene
Trivial Name 1-methylcyclohexa-1,3-diene
Short Description mixture ofmethyl cyclohexadiene and methylene cyclohexene
Formula C7 H10
CAS Number 30640-46-1
CAS Number 1888-90-0
Deleted CAS Number 68739-08-2
FEMA Number 4311
ECHA Number 250-269-5
FDA UNII NZ9H475GT1
Nikkaji Number J206.693I
COE Number 11797
xLogP3-AA 2.10 (est)
NMR Predictor External link
FDA Patent No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm 977187-67-9 ; MIXTURE OF METHYL CYCLOHEXADIENE AND METHYLENE CYCLOHEXENE
Synonyms
  • limediene (Bedoukian)
  • methyl cyclohexadiene
  • methyl cyclohexadiene + methylene cyclohexene
  • mixture of methyl cyclohexadiene and methylene cyclohexene
  • methyl cyclohexadiene and methylene cyclohexene mixture
  • methylene cyclohexene + methyl cyclohexadiene

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:2902.19.0000
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 94.156700134277
Specific gravity @ 25 °C
Pounds per Gallon 6.906 to 6.965
Refractive Index 1.474 to 1.484 @ 20 °C
Vapor Pressure 22.283001 mmHg @ 25 °C
Flash Point TCC Value 15.56 °C TCC
logP (o/w) 3.009 est
Solubility
alcohol Yes
water, 54.36 mg/L @ 25 °C (est) Yes
water No

Organoleptic Properties

Odor Type: Citrus
lemon, lime, truffle
Odor strength high , recommend smelling in a 10.00 % solution or less
Substantivity < 1 hour(s) at 100.00 %
General comment At 10.00 % in dipropylene glycol. powerful lemon lime truffle
Flavor Type: Citrus
lemon, lime, sulfurous
General comment Citrus lemon lime sulfurous
Topnote of lime and other citrus applications, tropical fruits, garlic, and wasabe. Distilled lime, sulfur topnotes of citrus and garlic

Safety Information

Safety information

Preferred SDS: View
European information :
Most important hazard(s):
Xi - Irritant
R 11 - Highly flammable.
R 36/38 - Irritating to skin and eyes.
S 02 - Keep out of the reach of children.
S 16 - Keep away from sources of ignition - No Smoking.
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 > 2000 mg/kg
Topnote of lime and other citrus applications, tropical fruits, garlic, and wasabe.

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 lemon hexadiene usage levels up to:
8.0000 % in the fragrance concentrate.
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: 23
Click here to view publication 23
average usual ppmaverage maximum ppm
baked goods: 0.002501.00000
beverages(nonalcoholic): 0.002501.00000
beverages(alcoholic): 0.002502.00000
breakfast cereal: 0.000101.00000
cheese: -1.00000
chewing gum: 0.000101.00000
condiments / relishes: -2.00000
confectionery froastings: 0.100001.00000
egg products: -1.00000
fats / oils: 0.100002.00000
fish products: -1.00000
frozen dairy: -1.00000
fruit ices: 0.100002.00000
gelatins / puddings: -1.00000
granulated sugar: -1.00000
gravies: -1.00000
hard candy: 0.100002.00000
imitation dairy: -1.00000
instant coffee / tea: -1.00000
jams / jellies: 0.100001.00000
meat products: -1.00000
milk products: -1.00000
nut products: -1.00000
other grains: -1.00000
poultry: -1.00000
processed fruits: 0.100001.00000
processed vegetables: -1.00000
reconstituted vegetables: -1.00000
seasonings / flavors: 0.100001.00000
snack foods: 0.100001.00000
soft candy: 0.100002.00000
soups: -1.00000
sugar substitutes: -1.00000
sweet sauces: -1.00000

Safety references

EPI System: View
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA Substance Registry Services (TSCA):30640-46-1
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :121731
National Institute of Allergy and Infectious Diseases:Data
WISER:UN 1993
WGK Germany:2
1-methylcyclohexa-1,3-diene
Chemidplus:0030640461
3-methylidenecyclohexene
Chemidplus:0001888900