(E,E)-farnesyl acetate 4128-17-0

(E,E)-farnesyl acetate

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IUPAC name :

[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl] acetate

InChI :

InChI=1/C17H28O2/c1-14(2)8-6-9-15(3)10-7-11-16(4)12-13-19-17(5)18/h8,10,12H,6-7,9,11,13H2,1-5H3/b15-10+,16-12+

InChIKey :

ZGIGZINMAOQWLX-NCZFFCEIBR

SMILES :

CC(=CCC/C(=C/CC/C(=C/COC(=O)C)/C)/C)C

cas number :	4128-17-0
molar refractivity :	82.28 ± 0.3 cm3
parachor :	683.4 ± 4.0 cm3
index of refraction :	1.473 ± 0.02
surface tension :	29.6 ± 3.0 dyne/cm
density :	0.902 ± 0.06 g/cm3
polarizability :	32.61 ± 0.5 10-24cm3
XlogP :	3.80
molecular weight :	264.4030200
formula :	C17 H28 O2
BioActivity Analysis :	8062930
NMR Predictor :	Predict

export tariff code :

2915.39.4550

fda reg :

unspecified

Suppliers :

Sigma-Aldrich-Aldrich :

trans,trans-farnesyl acetate
95%

organoleptics :

odor strength :

low

odor description :
at 100.00 %.

oily wax

properties :

appearence :

colorless to pale yellow clear liquid

assay :

95.00 to 100.00 %

Food Chemicals Codex Listed :

specific gravity :

0.91400 @ 25.00 °C.

refractive index :

1.47700 @ 20.00 °C.

boiling point :

346.00 to 347.00 °C. @ 760.00 mm Hg

vapor pressure :

0.00100 mm/Hg @ 20.00 °C.

vapor density :

>1 ( Air = 1 )

flash point :

218.00 °F. TCC ( 103.33 °C. )

logP (o/w) :

6.14

safety :

most important hazard(s) :

None - None found.

S 02 - Keep out of the reach of children.
S 24/25 - Avoid contact with skin and eyes.

Oral Toxicity(LD50) :

Not determined

Dermal Toxicity(LD50) :

Not determined

Inhalation Toxicity(LC50) :

Not determined

safety in use :

recommendation for (E,E)-farnesyl acetate usage levels up to :

6.0000 % in the fragrance concentrate.

safety references :

EPI System :

view

WGK Germany :

[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl] acetate

chemidplus :

004128170

EPA Substance Registry Services :

4128-17-0

references :

[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl] acetate

NIST Chemistry WebBook :

1334552525

pubchem :

714516

other :

VCF-Online:

VCF Volatile Compounds in Food

synonyms :
(2E,6E)-	farnesyl acetate
2-(E)-6-(E)-	farnesyl acetate
trans,trans-	farnesyl acetate
(E,E)-3,7,11-	trimethyl-2,6,10-dodecatrien-1-ol acetate
[(2E,6E)-3,7,11-	trimethyldodeca-2,6,10-trienyl] acetate
soluble in :
	alcohol
insoluble in :
	water
(odor and/or flavor) blends with :
	citronellyl nitrile
	citronellyl oxyacetaldehyde
	cyclohexyl ethyl alcohol
9-	decen-1-al
	ethyl laurate
	heptyl formate
	hexadecanol
	hexyl 2-furoate
	mandarine undecenal
	methyl citronellate
	methyl heptanoate
(Z)-	nerolidol
3-	nonanon-1-yl acetate
	phenethyl hexanoate
(Z)-8-	undecen-1-al
10-	undecen-1-ol
	waxy aldehyde
natural occurrence in :
data page	ambrette seed concrete @ 30.90%
data page	cerastium candidissimum corr. oil greece @ trace%
data page	couroupita guianensis aubl. flower oil brazil @ 0.10%
data page	cymbopogon citratus (dc.) stapf. oil cuba @ 0.30%
data page	jasmin sambac absolute egypt @ 0.50%
data page	lime oil expressed florida @ trace%
data page	palmarosa oil @ 0.10%
data page	skimmia laureola oil @ 1.5%
data page	ylang ylang oil @ 0.61%

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