lemon hexadiene
mixture ofmethyl cyclohexadiene and methylene cyclohexene
 
Notes:
None found
  • Bedoukian Research
    • Bedoukian Research, Inc.
      Perfecting the Art of Chemistry
      Working closely with our customers to meet their requirements.
      Dr. Paul Bedoukian founded the company in 1972 to fill a niche as a supplier of high quality specialty aroma molecules. Today, we offer more than 350 high impact aroma chemicals, while providing custom manufacturing services to the pharmaceutical, agrochemical, and specialty chemical industries.
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      Product(s):
      962 LIMEDIENE ≥98.0%, Kosher
      SDS
      A unique combination of lemon-lime, tropical, marine, and watery notes. Excellent topnote in imparting freshness. Great in cool water types.
      Topnote of lime and other citrus applications, tropical fruits, garlic, and wasabe.
       
       
  • BOC Sciences
    • BOC Sciences
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      Product(s):
      30640-46-1 LIMEDIENE 98.0%
       
  • Penta International
    • Penta International Corporation
      Chemistry innovation
      At Penta, our products and services help businesses do business better.
      For over 30 years, Penta Manufacturing Company has played a growing role in worldwide chemistry innovations and applications. As an industry leader, Penta continues to pioneer chemistry-based solutions for practically every area of commerce. Our products and expertise have helped fuel technical advances in dozens of commercial applications including flavoring, coloring, fragrances and chemical processes.
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      Product(s):
      13-36685 METHYL CYCLOHEXADIENE
       
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Fragrance Demo Formulas
CAS Number: 30640-46-1Picture of molecule3D/inchi
Other(deleted CASRN): 68739-08-2
ECHA EINECS - REACH Pre-Reg: 250-269-5
FDA UNII: NZ9H475GT1
Nikkaji Web: J206.693I
CoE Number: 11797
XlogP3-AA: 2.10 (est)
Molecular Weight: 94.15670000
Formula: C7 H10
NMR Predictor: Predict (works with chrome or firefox)
CAS Number: 1888-90-0Picture of molecule3D/inchi
FDA UNII: 7LM295U1K9
Nikkaji Web: J886.814J
XlogP3-AA: 2.30 (est)
Molecular Weight: 94.15670000
Formula: C7 H10
NMR Predictor: Predict (works with chrome or firefox)
Category: flavor and fragrance agents
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Google Scholar: Search
Google Books: Search
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Perfumer and Flavorist: Search
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US Patents: Search
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NCBI: Search
FEMA Number: 4311 mixture ofmethyl cyclohexadiene and methylene cyclohexene
4311 mixture ofmethyl cyclohexadiene and methylene cyclohexene
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF):977187-67-9 ; MIXTURE OF METHYL CYCLOHEXADIENE AND METHYLENE CYCLOHEXENE
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Physical Properties:
Appearance: colorless clear liquid (est)
Assay: 98.00 to 100.00 % sum of isomers
Food Chemicals Codex Listed: No
Specific Gravity: 0.83000 to 0.83700 @  25.00 °C.
Pounds per Gallon - (est).: 6.906 to  6.965
Refractive Index: 1.47400 to 1.48400 @  20.00 °C.
Boiling Point: 105.00 °C. @ 760.00 mm Hg
Boiling Point: 90.00 °C. @ 28.00 mm Hg
Vapor Pressure: 22.283001 mmHg @ 25.00 °C. (est)
Flash Point: 60.00 °F. TCC ( 15.56 °C. )
logP (o/w): 3.009 (est)
Soluble in:
 alcohol
 water, 54.36 mg/L @ 25 °C (est)
Insoluble in:
 water
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Organoleptic Properties:
 
Odor Type: citrus
 
Odor Strength: high ,
recommend smelling in a 10.00 % solution or less
 
Substantivity: < 1 hour(s) at 100.00 %
 
 lemon  lime  truffle  
Odor Description:
at 10.00 % in dipropylene glycol. 
powerful lemon lime truffle
 
 
Flavor Type: citrus
 
 lemon  lime  sulfurous  
Taste Description:
citrus lemon lime sulfurous
 
Odor and/or flavor descriptions from others (if found).
 
Bedoukian Research
LIMEDIENE ≥98.0%, Kosher
Odor Description: A powerful lemon-lime topnote, drying down to an exquisite black Perigord truffle
A unique combination of lemon-lime, tropical, marine, and watery notes. Excellent topnote in imparting freshness. Great in cool water types.
Taste Description: Distilled lime, sulfur topnotes of citrus and garlic
Topnote of lime and other citrus applications, tropical fruits, garlic, and wasabe.
 
 
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Cosmetic Information:
None found
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Suppliers:
Bedoukian Research
LIMEDIENE
≥98.0%, Kosher
Odor: A powerful lemon-lime topnote, drying down to an exquisite black Perigord truffle
Use: A unique combination of lemon-lime, tropical, marine, and watery notes. Excellent topnote in imparting freshness. Great in cool water types.
Flavor: Distilled lime, sulfur topnotes of citrus and garlic
Topnote of lime and other citrus applications, tropical fruits, garlic, and wasabe.
BOC Sciences
For experimental / research use only.
LIMEDIENE 98.0%
Penta International
METHYL CYCLOHEXADIENE
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Safety Information:
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
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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
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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
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References:
 1-methylcyclohexa-1,3-diene
NIST Chemistry WebBook: Search Inchi
Canada Domestic Sub. List: 30640-46-1
Pubchem (cid): 121731
Pubchem (sid): 135198876
 3-methylidenecyclohexene
NIST Chemistry WebBook: Search Inchi
Canada Domestic Sub. List: 1888-90-0
Pubchem (cid): 219357
Pubchem (sid): 10511840
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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
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Potential Blenders and core components note
 
For Odor
No odor group found for these
green pepper 
aldehydic
2-methyl undecanal dimethyl acetalFR
camphoreous
 fencholFL/FR
citrus
 acetaldehyde citronellyl methyl acetalFR
 agathis australis oil 
 aldehydic nitrileFR
beta-bisabololFL/FR
 cedrat peel oilFL/FR
(Z)-citralFL/FR
(E)-citralFL/FR
 citralFL/FR
 citral / methyl anthranilate schiff's baseFR
 citral diethyl acetalFL/FR
 citral dimethyl acetalFL/FR
 citral ethylene glycol acetalFR
 citral propylene glycol acetalFL/FR
 citronella oil ceylonFL/FR
(R)-citronellyl acetate 
 citronellyl nitrileFR
 citrus ocimenolFR
 dihydromyrcenolFL/FR
 dihydromyrcenyl acetateFR
(E+Z)-4,8-dimethyl-3,7-nonadien-2-yl acetateFL/FR
 dimyrcetol (IFF)FR
homogeranyl nitrileFR
 geranyl nitrileCS
2-heptanolFL/FR
 heptyl phenyl acetate 
 kauri-copal leaf oil 
 lemon oil c.p. californiaFL/FR
 lemon oil c.p. furocoumarin reducedFL/FR
 lemon oil italyFL/FR
 lemon oil terpenelessFL/FR
 lemongrass oilFL/FR
 lime octadienalFR
 lime oil distilled mexicoFL/FR
 lime oil distilled peruFL/FR
persian lime oil expressedFL/FR
 lime oil expressed floridaFL/FR
 lime oil expressed terpenelessFL/FR
 lime pyranFR
 litsea cubeba fruit oilFL/FR
 litsea cubeba oil terpenelessFL/FR
1-methyl cyclohexene 
 methyl heptenoneFL/FR
 neroli ketoneFR
 ocimenolFL/FR
 petitgrain combava oilFR
 tetrahydrocitralFL/FR
 tetrahydromyrcenolFR
 trimethyl cyclohexeneFR
 verbena oil spainFL/FR
 verbena oil terpenelessFL/FR
floral
alpha-amyl cinnamaldehyde dimethyl acetalFL/FR
isoamyl geranateFR
 lemon oil distilledFL/FR
 phenyl amyl alcoholFL/FR
fruity
 amyl heptanoateFL/FR
green
isodecanalFL/FR
1,5-dimethyl-3-isopropyl-2-oxabicyclo(2.2.2)octane 
 phenyl acetaldehyde diethyl acetalFL/FR
herbal
 canarium luzonicum gumFL/FR
 canarium luzonicum oilFL/FR
alpha-dihydroterpineolFL/FR
 dihydroterpinyl acetateFL/FR
 terpinoleneFL/FR
alpha-terpinyl acetateFL/FR
pine
 dihydroterpineolFR
terpenic
 elemi resinoidFL/FR
gamma-terpineneFL/FR
alpha-terpineolFL/FR
woody
(+)-campheneFL/FR
(E+Z)-4,8-dimethyl-3,7-nonadien-2-olFL/FR
alpha-terpineneFL/FR
 
For Flavor
 
No flavor group found for these
 agathis australis oil 
alpha-amyl cinnamaldehyde dimethyl acetalFL/FR
(+)-campheneFL/FR
 cedrat peel oilFL/FR
 citral propylene glycol acetalFL/FR
(R)-citronellyl acetate 
isodecanalFL/FR
 dihydroterpinyl acetateFL/FR
(E+Z)-4,8-dimethyl-3,7-nonadien-2-olFL/FR
(E+Z)-4,8-dimethyl-3,7-nonadien-2-yl acetateFL/FR
 heptyl phenyl acetate 
 kauri-copal leaf oil 
4-mercapto-4-methyl-2-pentanolFL
1-methyl cyclohexene 
 ocimenolFL/FR
green pepper 
 phenyl acetaldehyde diethyl acetalFL/FR
 phenyl amyl alcoholFL/FR
 tetrahydrocitralFL/FR
 thioterpenesFL
camphoreous
 fencholFL/FR
citrus
beta-bisabololFL/FR
 cherry lemon lime flavorFL
 citralFL/FR
(Z)-citralFL/FR
(E)-citralFL/FR
 citral diethyl acetalFL/FR
 citral dimethyl acetalFL/FR
 citronella oil ceylonFL/FR
1,5-dimethyl-3-isopropyl-2-oxabicyclo(2.2.2)octane 
 kiwi lemon lime flavorFL
 lemon carbonylsFL
 lemon lime flavorFL
 lemon oil c.p. californiaFL/FR
 lemon oil c.p. furocoumarin reducedFL/FR
 lemon oil distilledFL/FR
 lemon oil italyFL/FR
 lemon oil terpenelessFL/FR
 lemongrass oilFL/FR
 lime oil distilled mexicoFL/FR
 lime oil distilled peruFL/FR
persian lime oil expressedFL/FR
 lime oil expressed floridaFL/FR
 lime oil expressed terpenelessFL/FR
 litsea cubeba fruit oilFL/FR
 orange lemon lime flavorFL
alpha-terpineolFL/FR
 verbena oil franceFL
 verbena oil spainFL/FR
 verbena oil terpenelessFL/FR
floral
pseudoiononeFL
fruity
 amyl heptanoateFL/FR
2-heptanolFL/FR
 lilikoi float flavorFL
green
 canarium luzonicum gumFL/FR
 canarium luzonicum oilFL/FR
 dihydromyrcenolFL/FR
 elemi resinoidFL/FR
 methyl heptenoneFL/FR
lemon
 litsea cubeba oil terpenelessFL/FR
terpenic
gamma-terpineneFL/FR
alpha-terpineneFL/FR
woody
alpha-dihydroterpineolFL/FR
 terpinoleneFL/FR
alpha-terpinyl acetateFL/FR
 
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Potential Uses:
 abroniaFR
 bergamotFR
 cedratFR
 citronellaFR
 citrusFR
 coloniaFR
 elemiFR
 lemonFR
 lemongrassFR
 limeFR
 linden flowerFR
 litsea cubebaFL/FR
 orangeFR
 petitgrain lemon petitgrainFL/FR
 petitgrain lime petitgrainFL/FR
 verbenaFR
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Occurrence (nature, food, other): note
 found in nature
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Synonyms:
 limediene (Bedoukian)
 methyl cyclohexadiene
 methyl cyclohexadiene + methylene cyclohexene
mixture ofmethyl cyclohexadiene and methylene cyclohexene
 methyl cyclohexadiene and methylene cyclohexene mixture
 methylene cyclohexene + methyl cyclohexadiene
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