citral
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Notes :
Blends well with acetals, aldehydes and alcohols to give fresh top notes.
 
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IUPAC name :3,7-dimethylocta-2,6-dienal
InChI :InChI=1/C10H16O/c1-9(2)5-4-6-10(3)7-8-11/h5,7-8H,4,6H2,1-3H3
InChIKey :WTEVQBCEXWBHNA-UHFFFAOYAM
SMILES :CC(=CCCC(=CC=O)C)C
cas number :5392-40-5
(EINECS) number :226-394-6
eu annex :605-019-00-3
beilstein number :1721871
fema number :2303
coe number :109
jecfa number :1225
fl. number :05.020
molar refractivity :48.36 ± 0.3 cm3
parachor :405.6 ± 4.0 cm3
index of refraction :1.456 ± 0.02
surface tension :27.1 ± 3.0 dyne/cm
density :0.856 ± 0.06 g/cm3
polarizability :19.17 ± 0.5 10-24cm3
XlogP : 2.70
XlogP3-AA : 3.00
molecular weight : 152.2334400 (IUPAC)
formula :C10 H16 O
BioActivity Analysis :72163
pherobase floral:view
NMR Predictor :Predict
 
 
IUPAC name :(2E)-3,7-dimethylocta-2,6-dienal
InChI :InChI=1/C10H16O/c1-9(2)5-4-6-10(3)7-8-11/h5,7-8H,4,6H2,1-3H3/b10-7+
InChIKey :WTEVQBCEXWBHNA-JXMROGBWBB
SMILES :CC(=CCC/C(=C/C=O)/C)C
cas number :141-27-5
(EINECS) number :205-476-5
beilstein number :1721873
fema number :2303
coe number :109
fl. number :05.188
molar refractivity :48.36 ± 0.3 cm3
parachor :405.6 ± 4.0 cm3
index of refraction :1.456 ± 0.02
surface tension :27.1 ± 3.0 dyne/cm
density :0.856 ± 0.06 g/cm3
polarizability :19.17 ± 0.5 10-24cm3
XlogP : 2.70
XlogP3-AA : 3.00
molecular weight : 152.2334400 (IUPAC)
formula :C10 H16 O
BioActivity Analysis :17389098
pherobase floral:view
NMR Predictor :Predict
 
 
IUPAC name :(2Z)-3,7-dimethylocta-2,6-dienal
InChI :InChI=1/C10H16O/c1-9(2)5-4-6-10(3)7-8-11/h5,7-8H,4,6H2,1-3H3/b10-7-
InChIKey :WTEVQBCEXWBHNA-YFHOEESVBQ
SMILES :CC(=CCC/C(=C\C=O)/C)C
cas number :106-26-3
(EINECS) number :203-379-2
fema number :2303
coe number :109
fl. number :05.170
molar refractivity :48.36 ± 0.3 cm3
parachor :405.6 ± 4.0 cm3
index of refraction :1.456 ± 0.02
surface tension :27.1 ± 3.0 dyne/cm
density :0.856 ± 0.06 g/cm3
polarizability :19.17 ± 0.5 10-24cm3
XlogP : 2.70
XlogP3-AA : 3.00
molecular weight : 152.2334400 (IUPAC)
formula :C10 H16 O
pherobase floral:view
NMR Predictor :Predict
 
 
export tariff code :2912.19.1000
fda reg :182.60
Suppliers :
Apple :Citral,syn
BASF :Citral Extra
≥ 96% (Neral + Geranial, CGC) 45% (Neral, CGC) 45% (Geranial,
Odor:  Lemon, citrus, fruity, green
Natural identical substance (main component of many essential oils like lemon grass, litsea cubeba etc.), therefore very useful for fresh, citrus-like, agrumic notes. Poor stability, if exposed to air, alkali and daylight. Not suitable for detergents and household products.
Flavor:  Fresh, fruity, citrus-like
Very commonly used in flavor compositions for imitation of lemon, grapefruit, orange, lime and thanks to his fresh-citrus note for apple, cherry, strawberry etc.
BASF :Citral FCC
≥ 97% (CGC)
Odor:  Citrus, lemon, agrumic, peel
Natural identical substance (main component of many essential oils like lemon grass, litsea cubeba etc.), therefore very useful for fresh, citrus-like, agrumic notes. Poor stability if exposed to air, alkali or daylight. Not suitable for detergents and household products.
Flavor:  Fresh, fruity, citrus-like, candy-like
Very commonly used in flavor compositions for imitation of lemon, grapefruit, orange, lime and thanks to his fresh-citrus note for apple, cherry, strawberry flavors etc.
BASF :Citral FG
≥ 98% (Neral + Geranial, CGC)
Odor:  Citrus, lemon, agrumic, peely
Natural identical substance (main component of many essential oils like lemon grass, litsea cubeba etc.), therefore very useful for fresh, citrus-like, agrumic notes. Poor stability, if exposed to air, alkali and daylight. Not suitable for detergents and household products.
Flavor:  Fresh, fruity, citrus-like, candy-like
Very commonly used in flavor compositions for imitation of lemon, grapefruit, orange, lime, and thanks to his fresh-citrus note for apple, cherry, strawberry flavors etc.
Berje :Citral Natural Ex Lemongrass
Berje :Citral Natural Ex Litsea
Berje :Citral
96%
Citrus and Allied Essences :Citral Extra
FCC (natural)
Citrus and Allied Essences :Citral Super
FCC (natural)
Citrus and Allied Essences :Citral Synthetic
FCC
Citrus and Allied Essences :Citral
95% (natural)
Citrus and Allied Essences :Citral
synthetic 95/96%
Fleurchem :citral
natural
Fleurchem :citral
Givaudan :Citral Lemarome® N
IFF :Lemsyn
≥85% (sum of isomers)
Odor:  Citrus, Lemon, Green
Synthetic citral. Economical grade for household product perfumery.
Inoue :CITRAL
John D. Walsh :Citral
Mane :citral
(ex Litsea)
Moellhausen :citral
98% min. (special) nature identical kosher
Moellhausen :citral
80% min. nature identical kosher
Moellhausen :citral
92% min. natural kosher
Moellhausen :citral
95% min. natural kosher
Odor:  strong, fresh, lemon.
Flavor:  citrus, lemon peel
Moellhausen :citral
96% min. (ST.) nature identical kosher
Payand Betrand :Citral
Spain, Natural Isolated Constituent
Penta :citral
synthetic
Penta :citral
natural
Polarome :CITRAL R
SYNTHETIC
Polarome :CITRAL
FCC NATURAL
Polarome :CITRAL
FCC SYNTHETIC
Robertet :Citral
naturel
SAFC Global® :Citral
≥96%, mixture of cis and trans, Kosher
SAFC Global® :Citral
≥95%, natural, FCC, Kosher
Symrise :Citral FF
Odor:  intensive, fresh like lemon
Flavor:  like lemon peel.
Takasago :Citral E.Q.
≥Citral E.Q.
Odor:  Strong, lemon-like
Widely used in many types of accords, mainly in citrus fragrances. Gives freshness and lift.
Takasago :Citral Extra
≥94% as Neral + Geranial
Odor:  Strong, lemon-like
Widely used in many types of accords, mainly in citrus fragrances. Gives freshness and lift.
Takasago :Citral Natural
≥94% as Neral + Geranial
Odor:  Strong, lemon-like
Widely used in many types of accords, mainly in citrus fragrances. Gives freshness and lift.
Treatt :Citral Ex Lemon
Natural
Odor:  Fresh, juicy, lemon peel, with a sweet tangy green nuance
Vigon :Citral N
Odor:  STRONG LEMON
Vigon :Citral
Natural
Odor:  STRONG LEMON
Vigon :Citral
Synthetic FCC
Odor:  Intensive, fresh like lemon
organoleptics :
odor type :citrus
odor strength :medium
odor description:
at 100.00 %.  		sharp lemon sweet
Luebke, William tgsc, (1982)
odor sample from :Givaudan Corporation
odor description:
Fresh, juicy, Iemon peel, with a sweet tangy green nuance
Mosciano, Gerard P&F 18, No. 2, 38, (1993)
taste description:
at 40.00 ppm.  		Lemon peel, citrus, juicy, green, lime, woody and herbal
Mosciano, Gerard P&F 18, No. 2, 38, (1993)
substantivity :12 hour(s) at 100.00 %
properties :
appearence :colorless to pale yellow clear liquid
assay : 96.00 to 100.00 %   sum of isomers
Food Chemicals Codex Listed :No
specific gravity :0.88500 to 0.89100 @ 25.00 °C.
pounds per gallon - calc. : 7.364 to 7.414
refractive index :1.48600 to 1.49000 @ 20.00 °C.
boiling point : 228.00 to 229.00 °C. @ 760.00 mm Hg
boiling point : 103.00 to 104.00 °C. @ 12.00 mm Hg
acid value : 3.00  max.  KOH/g
vapor pressure :0.09100 mm/Hg @ 25.00 °C.
vapor density :5.2 ( Air = 1 )
flash point : 195.00  °F.  TCC  ( 90.56 °C. )
logP (o/w) : 3.45
shelf life : 24.00 month(s) or longer if stored properly.
storage :store in cool, dry place in tightly sealed containers, protected from heat and light.
safety :
most important hazard(s) :Xi - Irritant
  R 38 - Irritating to skin.
R 43 - May cause sensitisation by skin contact.
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 37/39 - Wear suitable gloves and eye/face protection.
Human experience : 8 % solution: sensitising. 32 % solution: skin irritation.
Oral Toxicity(LD50) : 
  Oral-Rat    4960.00  mg/kg
Food and Cosmetics Toxicology. Vol. 2, Pg. 327, 1964.

Intraperitoneal-Rat    460.00  mg/kg
Journal of Reproduction and Fertility. Vol. 55, Pg. 347, 1979.

Oral-Mouse    6000.00  mg/kg
Biochemical Journal. Vol. 34, Pg. 1196, 1940.

Dermal Toxicity(LD50) : 
  Skin-Rabbit  2250.00  mg/kg
Food and Chemical Toxicology. Vol. 25, Pg. 505, 1987.

Inhalation Toxicity(LC50) : 
  Not determined
 
safety in use :
Category :flavor and fragrance agents
Maximised Survey-derived Daily Intakes (MSDI-EU) :5844.00 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA) :6990.00 (μg/capita/day)
Structure Class :I
 
IFRA critical Effect :Sensitization
Fragrance usage is IFRA RESTRICTED to :
Please review all IFRA documents for complete information. (QRA)
IFRA categories : limits in the finished product: (For a description of the categories, refer to the IFRA QRA Information Booklet.)
Category 1 : 0.04 % (1)Category 2 : 0.05 %
Category 3 : 0.20 %Category 4 : 0.60 %
Category 5 : 0.30 %Category 6 : 1.00 % (1)
Category 7 : 0.10 %Category 8 : 1.40 %
Category 9 : 5.00 %Category 10 : 2.50 %
Category 11 :See Note (2)
 Notes :
 

(1) IFRA would recommend that any material used to impart perfume or flavour in products intended for human ingestion should consist of ingredients that are in compliance with appropriate regulations for foods and food flavourings in the countries of planned distribution and, where these are lacking, with the recommendations laid down in the Code of Practice of IOFI (International Organisation of the Flavor Industry). Further information about IOFI can be found on its website (www.iofi.org).

 

(2) Category 11 includes all non-skin contact or incidental skin contact products. Due to the negligible skin contact from these types of products there is no justification for a restriction of the concentration of this fragrance ingredient in the finished product.

 
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 on the "LIBRARY" link.
publication number : 3. Update in publication number(s) : 24
 average usual ppmaverage maximum ppm
baked goods : 133.00000178.00000
beverages(nonalcoholic) : 17.0000028.00000
beverages(alcoholic) : 3.000006.00000
breakfast cereal : --
cheese : -0.20000
chewing gum : 7000.0000010000.00000
condiments / relishes : 10.0000010.00000
confectionery froastings : --
egg products : --
fats / oils : --
fish products : --
frozen dairy : 22.0000034.00000
fruit ices : -23.00000
gelatins / puddings : 174.00000210.00000
granulated sugar : --
gravies : 0.500000.80000
hard candy : 950.000001000.00000
imitation dairy : --
instant coffee / tea : --
jams / jellies : --
meat products : 1.000002.00000
milk products : --
nut products : --
other grains : --
poultry : --
processed fruits : --
processed vegetables : --
reconstituted vegetables : --
seasonings / flavors : --
snack foods : --
soft candy : 142.00000181.00000
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...
msds :msds
EPI System :view
IUCLID :view
NLM Hazardous Substances Data Bank :search
IFRA :IFRA - ( Found under : Citral )
Chemical Carcinogenesis Research Information System :Search
Cancer Citations :Search
Toxicology Citations :Search
Carcinogenic Potency Database :Search
Env. Mutagen Info. Center :Search
NLM Developmental and Reproductive Toxicity :Search
National Toxicology Program :Search
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
SCCNFP :opinion
WISER :UN 1993
 
WGK Germany :1
 
 
 
 
3,7-dimethylocta-2,6-dienal
(EINECS) number :226-394-6
RTECS :RG5075000 for cas# 5392-40-5
chemidplus :005392405
EPA/NOAA CAMEO :hazardous materials
EPA Substance Registry Services :5392-40-5
dtp/nci :6170
 
 
 
(2E)-3,7-dimethylocta-2,6-dienal
(EINECS) number :205-476-5
chemidplus :000141275
EPA Substance Registry Services :141-27-5
 
 
 
(2Z)-3,7-dimethylocta-2,6-dienal
(EINECS) number :203-379-2
chemidplus :000106263
EPA Substance Registry Services :106-26-3
references :
 
3,7-dimethylocta-2,6-dienal
fl. number :05.020
jecfa number :1225
NIST Chemistry WebBook :4038823584
pubchem :10526025
Flavornet :5392-40-5
 
(2E)-3,7-dimethylocta-2,6-dienal
fl. number :05.188
NIST Chemistry WebBook :4294798961
pubchem :151991
Flavornet :141-27-5
 
(2Z)-3,7-dimethylocta-2,6-dienal
fl. number :05.170
NIST Chemistry WebBook :1440290370
pubchem :209040
Flavornet :106-26-3
Cosmetics :
Cosmetic uses : flavoring agents
perfuming agents
other :
CosIng :cosmetic data
VCF-Online: VCF Volatile Compounds in Food
 C of A
RIFM :listed
FMA :listed
FDA Everything Added to Food in the United States (EAFUS)View
synonyms :
(Z)/(E)citral
(Z+E)citral
 citralia
2,6-dimethyl octadien-2,6-al-8
3,7-dimethyl-1,2,6-octadienal
(Z+E)-3,7-dimethyl-2,6-octadien-1-al
cis+trans-3,7-dimethyl-2,6-octadien-1-al
3,7-dimethyl-2,6-octadienal
3,7-dimethylocta-2,6-dienal
 hesperitraal
 lemarome N
 lemsyn
soluble in :
 dipropylene glycol
 fixed oils
 paraffin oil
 propylene glycol
 water, 1340 mg/L @ 25C
insoluble in :
 water
 glycerin
stability :
 alcoholic lotion
 antiperspirant
 deo stick
 fabric softener
 shampoo
potential blenders :    note
 acetaldehyde citronellyl methyl acetalFR
 acetophenoneFL/FR
 aldehydic nitrileFR
alpha-amyl cinnamaldehydeFL/FR
alpha-amyl cinnamaldehyde dimethyl acetalFL/FR
isoamyl geranateFR
 amyl heptanoateFL/FR
 benzylidene acetoneFL
 bergamot oilFL/FR
 bergamot oil bergaptene freeFL/FR
beta-bisabololFL/FR
 blood orange oilFL/FR
 bois de rose oilFL/FR
 cedrat peel oilFL/FR
 cinnamaldehydeFL/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 oilFL/FR
 citronellalFL/FR
 citronellolFL/FR
 citronellyl acetateFL/FR
 citronellyl nitrileFR
 citrus carbaldehydeFR
 citrus nitrileFR
 clary sage oilFL/FR
 clove bud oilFL/FR
 coriander seed oilFL/FR
 cyclamen aldehydeFL/FR
 cyclohexyl ethyl alcoholFL/FR
 cymbopogon citratus (dc.) stapf. oil cubaFR
gamma-decalactoneFL/FR
 decanalFL/FR
isodecanalFL/FR
 decanal dimethyl acetalFL/FR
 decanolFL/FR
(E)-4-decen-1-alFL/FR
 dihydrocitronellyl ethyl etherFR
 dihydromyrcenolFL/FR
 dimethyl anthranilateFL/FR
(E+Z)-4,8-dimethyl-3,7-nonadien-2-olFL/FR
(E+Z)-4,8-dimethyl-3,7-nonadien-2-yl acetateFL
 diphenyl oxideFL/FR
 dodecanalFL/FR
2-dodecanoneFL/FR
 elemi gumFL/FR
 elemi oilFL/FR
 elemi resinoidFL/FR
2-ethyl-1-hexanolFL/FR
isoeugenolFL/FR
(Z)-beta-farnesene 
 fenchyl alcoholFL/FR
 geraniolFL/FR
 geranyl acetateFL/FR
 geranyl nitrileCS
homogeranyl nitrileFR
 grapefruit oilFL/FR
 grapefruit pentanolFR
 green carboxylateFR
 green dioxolaneFR
 heliotropinFL/FR
2-heptanolFL/FR
 heptyl phenyl acetateFL/FR
(E,E)-2,4-hexadien-1-alFL
 hexyl 2-furoateFL/FR
 hexyl 2-methyl butyrateFL/FR
alpha-hexyl cinnamaldehydeFL/FR
pseudoiononeFL
 ionones 
2,4-ivy carbaldehydeFL/FR
 kauri-copal leaf oil 
 kauri-copal oil 
 lavender absoluteFL/FR
 leerallFR
 lemon hexadieneFL/FR
 lemon oilFL/FR
 lemon oil c.p. furo coumarin freeFL/FR
 lemon oil distilledFL/FR
 lemon oil expressedFL/FR
 lemon oil terpenelessFL/FR
 lemongrass oilFL/FR
 lemongrass oil guatemalaFL/FR
 lemongrass oil moroccoFL/FR
 lime oilFL/FR
laevo-limoneneFL/FR
 linaloolFL/FR
laevo-linaloolFL/FR
(Z)-linalool oxide (pyranoid)FL/FR
 linalyl acetateFL/FR
 linalyl formateFL/FR
 litsea cubeba oilFL/FR
 litsea cubeba oil terpenelessFL/FR
 mandarin oilFL/FR
 mandarin oil uruguayFL/FR
4-mercapto-4-methyl-2-pentanolFL
 methyl acetoacetateFL
 methyl citronellateFL/FR
 methyl heptenoneFL/FR
2-methyl undecanal dimethyl acetalFR
(Z+E)-2-methyl-2-(4-methyl-3-pentenyl) cyclopropane carbaldehydeFL/FR
alpha-methylene citronellalFR
 muguet octadienolFR
 nerolFL/FR
 neroli ketoneFL/FR
(E,E)-2,6-nonadien-1-alFL/FR
 nonanal dimethyl acetalFL/FR
3-nonanon-1-yl acetateFL/FR
 ocimenolFL/FR
 octanalFL/FR
 orange oilFL/FR
 orange oil bitterFL/FR
 petitgrain combava oilCS
 petitgrain oilFL/FR
 phenethyl alcoholFL/FR
 phenethyl hexanoateFL/FR
 phenyl amyl alcoholFL/FR
 tangerine oilFL/FR
alpha-terpineneFL/FR
gamma-terpineneFL/FR
alpha-terpineolFL/FR
 tetrahydrocitralFL/FR
 tetrahydrolinaloolFL/FR
 tetrahydrolinalyl acetateFR
 tetrahydromyrcenolFR
 trimethyl cyclohexeneFR
(±)-2,4,8-trimethyl-7-nonen-2-olFL/FR
gamma-undecalactoneFL/FR
 undecanalFL/FR
 undecanal dimethyl acetalFR
 undecanolFL/FR
10-undecen-1-olFL/FR
 verbena oilFL
 verbena oil spainFL/FR
 verbena oil terpenelessFL/FR
 waxy aldehydeFR
potential uses :
 abronia
 agrumen
 aldehydic
 apple
 apple green apple
 apricot
 basil
 bay
 bergamot
 blackberry
 blueberry
 butterscotch
 cassie acacia farnesiana
 cedrat
 cherry
 citronella
 citrus
 coconut tropical coconut
 coffee
 cologne
 colonia
 curacao
 eucalyptus
 fern fougere
 fir needle
 floral
 fresh
 geranium
 ginger
 grapefruit
 lemon
 lemongrass
 lime
 linden blossom limeflower tilleul
 litsea cubeba
 mace
 magnolia
 mandarin
 melon watermelon muskmelon cantaloupe
 my sin
 neroli
 orange
 orange blossom fleur d'oranger
 passion fruit
 peach
 petitgrain
 petitgrain lemon petitgrain
 pineapple
 plum
 raspberry
 rhubarb
 rose
 rose red rose
 rose white rose
 sassafras
 strawberry
 topnotes
 vanilla
 verbena verveine
 zibeline
natural occurrence in :    note
data pageartemisia vestita wall. flower oil @ 9.80% S
data pageartemisia vestita wall. leaf oil @ 13.30% S
 bergamot  
 cardamom S
 citronella  
 geranium  
 ginger S
 grapefruit S
 lemon  
 lemongrass  
 lime  
 litsea cubeba S
 neroli  
 orange  
 petitgrain S
 petitgrain bergamot S
 petitgrain lemon S
 rose  
 verbena  


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