(E)-citral 141-27-5

(E)-citral

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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
XlogP3-AA :	3.00
molecular weight :	152.2334400 (IUPAC)
formula :	C10 H16 O
BioActivity Analysis :	17389098
pherobase floral:	view
NMR Predictor :	Predict

export tariff code :

unspecified

fda reg :

unspecified

Suppliers :

Need This Molecule?:

You can contact the Chemical Sources Association and ask the Sourceress.

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 :

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
French Demande Patent Document. Vol. #2448856

Dermal Toxicity(LD50) :

Not determined

Inhalation Toxicity(LC50) :

Not determined

safety in use :

Category :

flavor and fragrance agents

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.

recommendation for (E)-citral flavor usage levels up to :

170.0000 ppm in the flavor.

safety references :

EPI System :

view

IFRA :

IFRA - ( Found under : Citral )

Canada Domestic Sub. List :

Yes

EPA Chem. Sub. Inventory :

Yes

WGK Germany :

(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 :

pubchem :

Cosmetics :

Cosmetic uses :

perfuming agents

other :

CosIng :

cosmetic data

VCF-Online:

VCF Volatile Compounds in Food

synonyms :
(E)-	citral
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
potential blenders : note
	acetals
	acetophenone	FL/FR
	alcohols
	aldehydes
	benzylidene acetone	FL
	bergamot oil	FL/FR
	bois de rose oil	FL/FR
	cinnamaldehyde	FL/FR
	citronella oils
	citronellal	FL/FR
	citronellol	FL/FR
	citronellyl nitrile	FR
	clary sage oil	FL/FR
	clove bud oil	FL/FR
	coriander seed oil	FL/FR
	decanal	FL/FR
	decanol	FL/FR
	dihydromyrcenol	FL/FR
	dihydroterpineol	FL/FR
	diphenyl oxide	FL/FR
	dodecanal	FL/FR
	elemi resin	FL/FR
iso	eugenol	FL/FR
	geraniol	FL/FR
	geranyl acetate	FL/FR
	geranyl nitrile	CS
	green dioxolane	FR
	heliotropin	FL/FR
	ionones
	lavender absolute	FL/FR
	lemongrass oil	FL/FR
	linalool	FL/FR
laevo-	linalool	FL/FR
	linalyl acetate	FL/FR
	octanal	FL/FR
	olibanum oil	FL/FR
	orange oil	FL/FR
	phellandrene	FL/FR
	phenethyl alcohol	FL/FR
alpha-	terpineol	FL/FR
potential uses :
	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 : note
data page	backhousia citriodora f. muell. leaf oil @ 48.50%	S
data page	bay leaf oil @ 0.00-0.22%	S
data page	bay leaf oil clove @ 0.3%	S
data page	bay leaf oil lemon @ 40.3%	S
data page	blood orange oil (citrus sinensis l. var. sanguinello) italy @ 0.082%	S
data page	blood orange oil (citrus sinensis l. var. tarocco) italy @ 0.073%	S
data page	blood orange oil italy @ 0.085%	S
data page	carrot seed oil @ 0.89%	S
data page	carrot seed oil spain @ 0.14-0.32%	S
data page	cassie absolute @ 5.57%	S
data page	champaca absolute (michelia alba dc.) @ 0.14%	S
data page	champaca concrete @ 0.01%	S
data page	citronella oil zimbabwe @ 0.91%	S
data page	clary sage oil greece @ 2.15%	S
data page	clary sage oil spain @ 0.93%	S
data page	coriander seed oil cuba @ 0.13%	S
data page	couroupita guianensis aubl. flower oil brazil @ 0.60%	S
data page	cymbopogon citratus (dc.) stapf. oil cuba @ 19.50%	S
data page	eucalyptus globulus oil zambia @ 0.10%	S
data page	geranium leaf oil india @ 1.17%	S
data page	geranium oil rwanda @ 2.17%	S
data page	geranium petiole oil india @ 3.31%	S
data page	geranium stem oil india @ 3.41%	S
data page	ginger root oil china @ 2.93%	S
data page	ginger root oil CO2 extract australia @ 25.06%	S
data page	grapefruit oil c.p. @ 0.04%	S
data page	grapefruit oil c.p. @ 0.07%	S
data page	grapefruit oil c.p. @ 0.10%	S
data page	grapefruit oil c.p. italy @ 0.08%	S
data page	grapefruit oil c.p. russia @ 0.02%	S
data page	grapefruit oil c.p. russia @ 0.08%	S
data page	grapefruit oil c.p. russia @ 0.08%	S
data page	grapefruit oil c.p. russia @ 0.09%	S
data page	grapefruit oil california @ 0.17%	S
data page	grapefruit oil CO2 extract @ 0.15%	S
data page	hyptis spicigera lam. oil mali @ 0.10-0.20%	S
data page	hyptis suaveolens (l.) poit. oil mali @ 0.10-0.90%	S
	lemon
data page	lemon oil california @ 1.18%	S
data page	lemon verbena oil morocco @ 9.9%	S
data page	lemon verbena oil turkey @ 11.93%	S
data page	lemongrass oil @ 22.70%	S
data page	lemongrass oil @ 49.64%	S
data page	lemongrass oil cameroon @ 45.90%	S
data page	lemongrass oil egypt @ 43.56%	S
data page	lemongrass oil guatemala @ 37.30%	S
data page	lemongrass oil morocco @ 39.80%	S
data page	lemongrass oil rwanda @ 50.48%	S
data page	lemongrass oil yunnan @ 36.69%	S
data page	lime oil CO2 extract mexico @ trace%	S
data page	lime oil distilled peru @ 0.02%	S
data page	lime oil expressed florida @ 2.3%	S
data page	litsea cubeba oil china @ 37.86%	S
data page	mandarin oil @ 0.74%	S
data page	mandarin oil avana @ 0.07%	S
data page	mandarin oil italy @ trace%	S
data page	mandarin oil japan @ trace%	S
data page	mandarin oil uruguay @ trace%	S
data page	mangrove bark red oil cuba @ trace%	S
data page	marjoram oil spain @ 0.40%	S
data page	melissa oil @ 26.80%	S
data page	melissa oil slovak republic @ 33.60%	S
data page	myrtle lemon scented leaf oil australia @ 0.30%	S
data page	neroli bigarde oil france @ 0.04%	S
data page	orange oil c.p. brazil @ 0.04-0.16%	S
data page	orange oil terpeneless @ 5.60%	S
data page	orange peel oil bitter brazil @ 0.06%	S
data page	orange peel oil bitter china @ trace%	S
data page	orange peel oil bitter italy @ 0.11%	S
data page	orange peel oil sweet c.p. blond italy @ 0.082%	S
data page	orange peel oil sweet c.p. blond italy @ 0.122%	S
data page	orange peel oil sweet c.p. blond italy @ 0.127%	S
data page	orange peel oil sweet c.p. blond italy @ 0.133%	S
data page	orange peel oil sweet c.p. blond italy @ 0.134%	S
data page	orange peel oil sweet c.p. egypt @ 2.87%	S
data page	orange peel oil sweet c.p. florida @ 0.08%	S
data page	orange peel oil sweet c.p. valencia @ 0.10%	S
data page	osmanthus absolute @ trace%	S
data page	palmarosa oil @ 0.20%	S
data page	petitgrain bergamot oil @ 3.15%	S
data page	petitgrain grapefruit oil @ 0.60%	S
data page	petitgrain lemon oil @ 38.97%	S
data page	petitgrain lime oil @ 40.00%	S
data page	petitgrain oil @ trace%	S
data page	petitgrain sweet oil @ 1.72%
data page	sugandha kokila berry oil @ 0.50%	S
data page	tangerine oil america @ 0.03%	S
data page	thyme oil wild or creeping france @ 0.47%	S
data page	thyme oil wild or creeping pakistan @ 0.35%	S
data page	verbena oil france @ 19.90%	S
data page	wormseed oil spain @ 5.00%	S
data page	yarrow oil greece @ 0.30%	S

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