(E)-citral
organoleptics  properties  safety  references  cosmetics    FEMA Index    Home Page
Notes :
Blends well with acetals, aldehydes and alcohols to give fresh top notes.
 
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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
molecular weight : 152.2334400
formula :C10 H16 O
BioActivity Analysis :17389098
NMR Predictor :Predict
 
 
export tariff code :unspecified
fda reg :unspecified
organoleptics :
odor type :citrus
odor strength :medium
odor description :
at 100.00 %.  		citrus lemon
properties :
appearence :colorless to yellow clear liquid
assay : 80.00 to 100.00 %   
Food Chemicals Codex Listed :No
boiling point : 228.00 to 229.00 °C. @ 760.00 mm Hg
flash point : 215.00  °F.  TCC  ( 101.67 °C. )
logP (o/w) : 3.45
safety :
Oral Toxicity(LD50) :
  Oral-Rat    500.00  mg/kg

Dermal Toxicity(LD50) :
  Not determined
Inhalation Toxicity(LC50) :
  Not determined
 
safety in use :
 
IFRA critical Effect :Sensitization
Fragrance usage is 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 
 

(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).

 

Note : Category 11 includes all non-skin contact or incidental skin contact products. Due to negligible skin contact, the concentration of a fragrance ingredient should not exceed the usual concentration of the fragrance compound in the finished product.

For example, hypothetically if the usual concentration of a fragrance compound in the final product, for example a candle, is at 5%, then any individual fragrance ingredient (in this case (E)-citral) must not exceed 5% in the candle.

recommendation for (E)-citral usage levels up to :
  170.0000 ppm in the flavor.
safety references :
EPI System :view
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
 
WGK Germany :1
 
 
 
 (2E)-3,7-dimethylocta-2,6-dienal
(EINECS) number :205-476-5
chemidplus :000141275
EPA Substance Registry Services :141-27-5
references :
 (2E)-3,7-dimethylocta-2,6-dienal
fl. number :05.188
NIST Chemistry WebBook :4294798961
pubchem :151991
Cosmetics :
Cosmetic uses : perfuming agents
other :
CosIng :cosmetic data
VCF-Online: VCF Volatile Compounds in Food
synonyms :
trans-citral
(E)-3,7-dimethyl octa-2,6-dienal
(2E)-3,7-dimethylocta-2,6-dienal
 genanial
(E)-geranial
soluble in :
 alcohol
insoluble in :
 water
(odor and/or flavor) blends with :
 acetals
 acetophenone
 alcohols
 aldehydes
 benzylidene acetone
 bergamot oil
 bois de rose oil
 cinnamaldehyde
 citronella oils
 citronellal
 citronellol
 citronellyl nitrile
 clary sage oil
 clove bud oil
 coriander seed oil
 decanal
 decanol
 dihydromyrcenol
 dihydroterpineol
 diphenyl oxide
 dodecanal
 elemi resin
isoeugenol
 geraniol
 geranyl acetate
 geranyl nitrile
 green dioxolane
 heliotropin
 ionones
 lavender absolute
 lemongrass oil
 linalool
laevo-linalool
 linalyl acetate
 octanal
 olibanum oil
 orange oil
 phellandrene
 phenethyl alcohol
alpha-terpineol
(odor and/or flavor) used in :
 apple
 apple green apple
 apricot
 basil
 bay
 bergamot
 blackberry
 blueberry
 butterscotch
 cassie acacia farnesiana
 cedrat
 cherry
 citronella
 citrus
 coconut tropical coconut
 coffee
 cologne
 eucalyptus
 fern fougere
 fir needle
 floral
 fresh
 geranium
 ginger
 grapefruit
 lemon
 lemongrass
 lime
 mace
 magnolia
 mandarin
 melon watermelon muskmelon cantaloupe
 my sin
 neroli
 orange
 orange blossom fleur d'oranger
 passion fruit
 peach
 petitgrain lemon petitgrain
 pineapple
 plum
 raspberry
 rose
 rose red rose
 rose white rose
 sassafras
 strawberry
 topnotes
 vanilla
 verbena verveine
 zibeline
natural occurrence in :
data pagebackhousia citriodora f. muell. leaf oil @ 48.50%
data pagebay leaf oil @ 0.00-0.22%
data pagebay leaf oil clove @ 0.3%
data pagebay leaf oil lemon @ 40.3%
data pageblood orange oil (citrus sinensis l. var. sanguinello) italy @ 0.082%
data pageblood orange oil (citrus sinensis l. var. tarocco) italy @ 0.073%
data pageblood orange oil italy @ 0.085%
data pagecarrot seed oil @ 0.89%
data pagecarrot seed oil spain @ 0.14-0.32%
data pagecassie absolute @ 5.57%
data pagechampaca absolute (michelia alba dc.) @ 0.14%
data pagechampaca concrete @ 0.01%
data pagecitronella oil zimbabwe @ 0.91%
data pageclary sage oil greece @ 2.15%
data pageclary sage oil spain @ 0.93%
data pagecoriander seed oil cuba @ 0.13%
data pagecouroupita guianensis aubl. flower oil brazil @ 0.60%
data pagecymbopogon citratus (dc.) stapf. oil cuba @ 19.50%
data pageeucalyptus globulus oil zambia @ 0.10%
data pagegeranium leaf oil india @ 1.17%
data pagegeranium oil rwanda @ 2.17%
data pagegeranium petiole oil india @ 3.31%
data pagegeranium stem oil india @ 3.41%
data pageginger root oil china @ 2.93%
data pageginger root oil CO2 extract australia @ 25.06%
data pagegrapefruit oil c.p. @ 0.04%
data pagegrapefruit oil c.p. @ 0.07%
data pagegrapefruit oil c.p. @ 0.10%
data pagegrapefruit oil c.p. italy @ 0.08%
data pagegrapefruit oil c.p. russia @ 0.02%
data pagegrapefruit oil c.p. russia @ 0.08%
data pagegrapefruit oil c.p. russia @ 0.08%
data pagegrapefruit oil c.p. russia @ 0.09%
data pagegrapefruit oil california @ 0.17%
data pagegrapefruit oil CO2 extract @ 0.15%
data pagehyptis spicigera lam. oil mali @ 0.10-0.20%
data pagehyptis suaveolens (l.) poit. oil mali @ 0.10-0.90%
data pagelaurel leaf oil turkey @ 0.40%
data pagelaurel leaf oil turkey @ 30.50-34.00%
data pagelaurel leaf oil turkey @ 45.30-56.20%
lemon
data pagelemon oil california @ 1.18%
data pagelemon verbena oil morocco @ 9.9%
data pagelemon verbena oil turkey @ 11.93%
data pagelemongrass oil @ 22.70%
data pagelemongrass oil @ 49.64%
data pagelemongrass oil cameroon @ 45.90%
data pagelemongrass oil egypt @ 43.56%
data pagelemongrass oil guatemala @ 37.30%
data pagelemongrass oil morocco @ 39.80%
data pagelemongrass oil rwanda @ 50.48%
data pagelemongrass oil yunnan @ 36.69%
data pagelime oil CO2 extract mexico @ trace%
data pagelime oil distilled peru @ 0.02%
data pagelime oil expressed florida @ 2.3%
data pagelitsea cubeba oil china @ 37.86%
data pagemandarin oil @ 0.74%
data pagemandarin oil avana @ 0.07%
data pagemandarin oil italy @ trace%
data pagemandarin oil japan @ trace%
data pagemandarin oil uruguay @ trace%
data pagemangrove bark red oil cuba @ trace%
data pagemarjoram oil spain @ 0.40%
data pagemelissa oil @ 26.80%
data pagemelissa oil slovak republic @ 33.60%
data pagemyrtle lemon scented leaf oil australia @ 0.30%
data pageneroli bigarde oil france @ 0.04%
data pageorange oil c.p. brazil @ 0.04-0.16%
data pageorange oil terpeneless @ 5.60%
data pageorange peel oil bitter brazil @ 0.06%
data pageorange peel oil bitter china @ trace%
data pageorange peel oil bitter italy @ 0.11%
data pageorange peel oil sweet c.p. blond italy @ 0.082%
data pageorange peel oil sweet c.p. blond italy @ 0.122%
data pageorange peel oil sweet c.p. blond italy @ 0.127%
data pageorange peel oil sweet c.p. blond italy @ 0.133%
data pageorange peel oil sweet c.p. blond italy @ 0.134%
data pageorange peel oil sweet c.p. egypt @ 2.87%
data pageorange peel oil sweet c.p. florida @ 0.08%
data pageorange peel oil sweet c.p. valencia @ 0.10%
data pageosmanthus absolute @ trace%
data pagepalmarosa oil @ 0.20%
data pagepetitgrain bergamot oil @ 3.15%
data pagepetitgrain grapefruit oil @ 0.60%
data pagepetitgrain lemon oil @ 38.97%
data pagepetitgrain lime oil @ 40.00%
data pagepetitgrain oil @ trace%
data pagepetitgrain sweet oil @ 1.72%
data pagesugandha kokila berry oil @ 0.50%
data pagetangerine oil america @ 0.03%
data pagethyme oil wild or creeping france @ 0.47%
data pagethyme oil wild or creeping pakistan @ 0.35%
data pageverbena oil france @ 19.90%
data pagewormseed oil spain @ 5.00%
data pageyarrow oil greece @ 0.30%



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