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lemon hexadiene
mixture ofmethyl cyclohexadiene and methylene cyclohexene

Supplier Sponsors

Name:1-methylcyclohexa-1,3-diene
CAS Number: 30640-46-1Picture of molecule3D/inchi
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)
Name:3-methylidenecyclohexene
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
Google Scholar: with word "volatile"Search
Google Scholar: with word "flavor"Search
Google Scholar: with word "odor"Search
Perfumer and Flavorist:Search
Google Patents:Search
US Patents:Search
EU Patents:Search
Pubchem Patents: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
 
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
 
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.
 
Cosmetic Information:
None found
 
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, Kosher
 
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
 
Safety in Use Information:
Category: flavor and fragrance agents
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
 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
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
 
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
 
Other Information:
(IUPAC):Atomic Weights of the Elements 2009
(IUPAC):Atomic Weights of the Elements 2009 (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
 
Potential Blenders and core components note
For Odor
aldehydic
2-
methyl undecanal dimethyl acetal
FR
camphoreous
fenchol
FL/FR
citrus
acetaldehyde citronellyl methyl acetal
FR
aldehydic nitrile
FR
beta-
bisabolol
FL/FR
cedrat peel oil
FL/FR
(Z)-
citral
FL/FR
citral
FL/FR
(E)-
citral
FL/FR
citral / methyl anthranilate schiff's base
FR
citral diethyl acetal
FL/FR
citral dimethyl acetal
FL/FR
citral ethylene glycol acetal
FR
citral propylene glycol acetal
FL/FR
citronella oil ceylon
FL/FR
citronellyl nitrile
FR
citrus ocimenol
FR
dihydromyrcenol
FL/FR
dihydromyrcenyl acetate
FR
(E+Z)-4,8-
dimethyl-3,7-nonadien-2-yl acetate
FL/FR
dimyrcetol (IFF)
FR
geranyl nitrile
CS
homo
geranyl nitrile
FR
2-
heptanol
FL/FR
lemon oil c.p. california
FL/FR
lemon oil c.p. furocoumarin reduced
FL/FR
lemon oil italy
FL/FR
lemon oil terpeneless
FL/FR
lemongrass oil
FL/FR
lime octadienal
FR
lime oil distilled mexico
FL/FR
lime oil distilled peru
FL/FR
persian
lime oil expressed
FL/FR
lime oil expressed florida
FL/FR
lime oil expressed terpeneless
FL/FR
lime pyran
FR
litsea cubeba fruit oil
FL/FR
litsea cubeba oil terpeneless
FL/FR
methyl heptenone
FL/FR
neroli ketone
FR
ocimenol
FL/FR
petitgrain combava oil
FR
tetrahydrocitral
FL/FR
tetrahydromyrcenol
FR
trimethyl cyclohexene
FR
verbena oil spain
FL/FR
verbena oil terpeneless
FL/FR
floral
alpha-
amyl cinnamaldehyde dimethyl acetal
FL/FR
iso
amyl geranate
FR
lemon oil distilled
FL/FR
phenyl amyl alcohol
FL/FR
fruity
amyl heptanoate
FL/FR
green
iso
decanal
FL/FR
phenyl acetaldehyde diethyl acetal
FL/FR
herbal
canarium luzonicum gum
FL/FR
canarium luzonicum oil
FL/FR
alpha-
dihydroterpineol
FL/FR
dihydroterpinyl acetate
FL/FR
terpinolene
FL/FR
alpha-
terpinyl acetate
FL/FR
pine
dihydroterpineol
FR
terpenic
elemi resinoid
FL/FR
gamma-
terpinene
FL/FR
alpha-
terpineol
FL/FR
woody
(+)-
camphene
FL/FR
(E+Z)-4,8-
dimethyl-3,7-nonadien-2-ol
FL/FR
alpha-
terpinene
FL/FR
For Flavor
No flavor group found for these
alpha-
amyl cinnamaldehyde dimethyl acetal
FL/FR
(+)-
camphene
FL/FR
cedrat peel oil
FL/FR
citral propylene glycol acetal
FL/FR
iso
decanal
FL/FR
dihydroterpinyl acetate
FL/FR
(E+Z)-4,8-
dimethyl-3,7-nonadien-2-ol
FL/FR
(E+Z)-4,8-
dimethyl-3,7-nonadien-2-yl acetate
FL/FR
4-
mercapto-4-methyl-2-pentanol
FL
ocimenol
FL/FR
phenyl acetaldehyde diethyl acetal
FL/FR
phenyl amyl alcohol
FL/FR
tetrahydrocitral
FL/FR
thioterpenes
FL
camphoreous
camphoreous
fenchol
FL/FR
citrus
beta-
bisabolol
FL/FR
cherry lemon lime flavor
FL
(Z)-
citral
FL/FR
(E)-
citral
FL/FR
citral
FL/FR
citral diethyl acetal
FL/FR
citral dimethyl acetal
FL/FR
citronella oil ceylon
FL/FR
kiwi lemon lime flavor
FL
lemon carbonyls
FL
lemon lime flavor
FL
lemon oil c.p. california
FL/FR
lemon oil c.p. furocoumarin reduced
FL/FR
lemon oil distilled
FL/FR
lemon oil italy
FL/FR
lemon oil terpeneless
FL/FR
lemongrass oil
FL/FR
lime oil distilled mexico
FL/FR
lime oil distilled peru
FL/FR
persian
lime oil expressed
FL/FR
lime oil expressed florida
FL/FR
lime oil expressed terpeneless
FL/FR
litsea cubeba fruit oil
FL/FR
orange lemon lime flavor
FL
alpha-
terpineol
FL/FR
verbena oil france
FL
verbena oil spain
FL/FR
verbena oil terpeneless
FL/FR
floral
pseudo
ionone
FL
fruity
amyl heptanoate
FL/FR
2-
heptanol
FL/FR
lilikoi float flavor
FL
green
canarium luzonicum gum
FL/FR
canarium luzonicum oil
FL/FR
dihydromyrcenol
FL/FR
elemi resinoid
FL/FR
methyl heptenone
FL/FR
lemon
litsea cubeba oil terpeneless
FL/FR
terpenic
gamma-
terpinene
FL/FR
alpha-
terpinene
FL/FR
woody
alpha-
dihydroterpineol
FL/FR
terpinolene
FL/FR
alpha-
terpinyl acetate
FL/FR
 
Potential Uses:
FRabronia
FRbergamot
FRcedrat
FRcitronella
FRcitrus
FRcolonia
FRelemi
FRlemon
FRlemongrass
FRlime
FRlinden flower
FL/FRlitsea cubeba
FRorange
FL/FRpetitgrain lemon petitgrain
FL/FRpetitgrain lime petitgrain
FRverbena
 
Occurrence (nature, food, other):note
 found in nature
 
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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