geranyl formate

Notes :

Blends well with phenethyl esters.

Right Click Picture For More Options. (Safari 1.2 (v125) Compatible).

IUPAC name :

[(2E)-3,7-dimethylocta-2,6-dienyl] formate

InChI :

InChI=1/C11H18O2/c1-10(2)5-4-6-11(3)7-8-13-9-12/h5,7,9H,4,6,8H2,1-3H3/b11-7+

InChIKey :

FQMZVFJYMPNUCT-YRNVUSSQBP

SMILES :

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

(EINECS) number :	203-339-4
cas number :	105-86-2
beilstein number :	1724191
fema number :	2514
coe number :	343
jecfa number :	54
fl. number :	09.076
molar refractivity :	54.74 ± 0.3 cm3
parachor :	465.1 ± 4.0 cm3
index of refraction :	1.458 ± 0.02
surface tension :	28.8 ± 3.0 dyne/cm
density :	0.908 ± 0.06 g/cm3
polarizability :	21.70 ± 0.5 10-24cm3
xlogp :	3.00
molecular weight :	182.2594200
formula :	C11 H18 O2

IUPAC name :

[(2Z)-3,7-dimethylocta-2,6-dienyl] formate

InChI :

InChI=1/C11H18O2/c1-10(2)5-4-6-11(3)7-8-13-9-12/h5,7,9H,4,6,8H2,1-3H3/b11-7-

InChIKey :

FQMZVFJYMPNUCT-XFFZJAGNBU

SMILES :

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

(EINECS) number :	218-401-6
cas number :	2142-94-1
fema number :	2776
coe number :	2060
jecfa number :	55
fl. number :	09.212
molar refractivity :	54.74 ± 0.3 cm3
parachor :	465.1 ± 4.0 cm3
index of refraction :	1.458 ± 0.02
surface tension :	28.8 ± 3.0 dyne/cm
density :	0.908 ± 0.06 g/cm3
polarizability :	21.70 ± 0.5 10-24cm3
xlogp :	2.20
molecular weight :	182.2594200
formula :	C11 H18 O2
BioActivity Analysis :	84026

fda reg :

unspecified

h. number :

2915.13.0000

organoleptics :

odor type :

floral

odor strength :

medium

odor description :
at 100.00 %.

fresh rose neroli tea rose green

taste description³ :

at 10.00 ppm.
Green, floral, citrus, waxy, fruity, apple and apricot-like

substantivity :

24 Hour(s)

properties :

appearence :

colorless to pale yellow clear liquid

assay :

96.00 - 100.00 % sum of isomers

Food Chemicals Codex Listed :

Yes

specific gravity :

0.91600 - 0.92400 @ 25.00 °C.

pounds per gallon - calc. :

7.622 to 7.689

specific gravity :

0.91700 - 0.92500 @ 20.00 °C.

pounds per gallon - calc. :

7.639 to 7.706

refractive index :

1.46000 - 1.46500 @ 20.00 °C.

boiling point :

113.00 - 114.00 °C. @ 15.00 mm Hg

boiling point :

216.00 °C. @ 760.00 mm Hg

acid value :

1.00 max. KOH/g

logp :

3.71

safety :

most important hazard(s) :

Xi - Irritant

Oral Toxicity(LD50) :

Gavage-Rat [sex: M/F] 5460.00 mg/kg (Weir & Wong, 1971a)
Oral-Rat >6000.00 mg/kg

Dermal Toxicity(LD50) :

Skin-Rabbit >5.00 gm/kg FCTXAV 12,893,1974

Maximised Survey-derived Daily Intakes (MSDI) :

280.00 (μg/capita/day)

flash point ( Deg. F. ) :

185.00 °F. TCC ( 85.00 °C. )

recommendation for geranyl formate usage levels up to :

20.0000 % in the fragrance concentrate.

recommendation for geranyl formate usage levels up to :

10.0000 ppm in the flavor.

safety links :

(EINECS) number :

203-339-4

rtecs :

RG5925700 for 105-86-2

chemidplus :

epa-srs :

(EINECS) number :

chemidplus :

epa-srs :

dtp/nci :

other :

references :

jecfa number :

fl. number :

09.076

pubchem :

150871

NIST Chemistry WebBook :

1661275907

jecfa number :

fl. number :

09.212

pubchem :

10513576

NIST Chemistry WebBook :

3940191549

reference :

Mosciano, Gerard P&F 21, No. 1, 33, (1996)³

synonyms :
trans-3,7-	dimethyl-2,6-octadien-1-ol formate
(E)-3,7-	dimethyl-2,6-octadien-1-yl formate
trans-3,7-	dimethyl-2,6-octadien-1-yl formate
(E)-3,7-	dimethyl-2,6-octadien-1-yl methanoate
trans-3,7-	dimethyl-2,6-octadien-1-yl methanoate
(E)-3,7-	dimethyl-2,6-octadienyl formate
(E)-	formic acid 3,7-dimethyl-2,6-octadienyl ester
	formic acid geraniol ester
	geraniol formate
	geranyl formate
(E)-	geranyl formate
	geranyl methanoate
	nerger formate
(E)-	neryl formate
soluble in :
	alcohol
	fixed oils
insoluble in :
	water
	glycerin
	propylene glycol
(odor and/or flavor) blends with :
6-	acetoxydihydrotheaspirane
	amyl benzoate
iso	amyl undecylenate
	arnica flower oil
	basil oleoresin sweet
	benzyl alcohol
	bigarade oxide
	buchu mercaptan
	butyl benzyl ether
alpha-	butyl cinnamaldehyde
	cassis bud oil
	cassis pentanone
	champaca absolute
	champaca flower oil
	cinnamyl formate
	citronellal
	citronellyl acetate
	citronellyl anthranilate
	citronellyl propionate
	clary sage absolute
	clary sage oil
(-)-	cubenol
	cumin carbinol
	cyclamen aldehyde / methyl anthranilate schiff's base
	cyclohexyl anthranilate
(E)-alpha-	damascone
(Z)-alpha-	damascone
gamma-	damascone
iso	decanal
	decanal dimethyl acetal
3-	decanone
2-	decen-1-al
(Z)-4-	decen-1-yl acetate
	decyl anthranilate
	dihydrocarvyl acetate
1,3-	dimethoxybenzene
	dimethyl anthranilate
	dimethyl benzyl carbinol
	dimethyl benzyl carbinyl butyrate
	dimethyl benzyl carbinyl propionate
2,4-	dimethyl thiazole
6,8-	dimethyl-2-nonanol
	ethyl (E,Z)-2,4-decadienoate
	ethyl ethyl anthranilate
	ethyl formate
(E)-	ethyl geranate
	ethyl methyl-para-tolyl glycidate
	farnesene
	farnesyl acetate
	floral butanal
	floral pyran
	genet absolute
	geranium absolute
	geranium oil
	geranyl acetate
	geranyl acetone
	geranyl anthranilate
	geranyl isobutyrate
(E)-	geranyl linalool
	geranyl methyl tiglate
	globulol
	grapefruit pentanol
	guaiacyl phenyl acetate
(-)-	guaiol
	guaiyl acetate
	hawthorn ethanol
	heptanal dimethyl acetal
	heptyl butyrate
(Z)-3-	hexen-1-yl phenyl acetate
(Z)-3-	hexen-1-yl salicylate
alpha-	hexyl cinnamaldehyde
	ivy dioxolane
	jasmin cyclopentanol
	jonquil absolute
	leather cyclohexanol
	lime oil distilled terpeneless
	linalyl cinnamate
	linalyl phenyl acetate
	maltyl isobutyrate
	methyl 2-(methyl thio) butyrate
	methyl anthranilate
para-	methyl hydratropaldehyde
alpha-iso	methyl ionone (90% min.)
2-	methyl octanal
	methyl octine carbonate
	methyl thiomethyl butyrate
	mimosa absolute
	muguet carbinol
	muguet undecadienal
	musk acetate
beta-	naphthyl anthranilate
beta-	naphthyl methyl ether
beta-	naphthyl methyl ketone
	narcissus acetate
	nerol
	neroli oil
	neroli oil CO2 extract
	nerolidol
	nerolidyl acetate
	neryl acetate
	neryl isovalerate
	nonanal diethyl acetal
	nonanol
	octanal dimethyl acetal
	orange leaf absolute
	papaya isobutyrate
	passiflora acetate
	petitgrain oil
	phenethyl acetate
	phenethyl anthranilate
	phenethyl formate
	phenethyl isobutyrate
	phenethyl isopropyl ether
	phenethyl oxyacetaldehyde
	phenethyl phenyl acetate
	phenethyl salicylate
	phenethyl tiglate
	phenyl acetaldehyde
	phenyl acetaldehyde digeranyl acetal
	phenyl acetic acid
2-	phenyl propionaldehyde ethylene glycol acetal
	phenyl propyl phenyl acetate
(E)-2-	phenyl-1(2)-propene-1-yl acetate
ketoiso	phorone
iso	propyl anthranilate
	propyl isobutyrate
	rose butanoate
(Z)-	rose oxide
laevo-	rose oxide
	rose pyran
	strawberry glycidate 2
	styralyl propionate
	tea acetate
	tetrahydrolinalool
	tetrahydromyrcenol
	tricyclodecenyl acetate
(E)-2-	undecen-1-ol
2-	undecen-1-ol
	verbena absolute france
	viridiflorol
	ylang ylang oil
	ylang ylang oil CO2 extract
	ylang ylang oil I
	ylang ylang oil II
	ylang ylang oil III
(odor and/or flavor) used in :
	apple red apple
	apricot
	bergamot
	blueberry
	briar sweet briar eglantine
	citrus
	currant
	decumaria
	fresh
	geranium
	green
	guaiacwood
	hops houblon
	jonesia
	lavender
	lemon
	lime
	melon watermelon muskmelon cantaloupe
	neroli
	orange blossom fleur d'oranger
	peach
	pear
	raspberry
	rose
	rose geranium
	rose leaf
	rose red rose
	rose tea rose
	rose white rose
	rose wild rose
	strawberry
	tea
	tropical
natural occurrence in :
	blueberry
data page	champaca concrete @ trace%
data page	citronella oil zimbabwe @ 8.79%
data page	clary sage oil greece @ 1.25%
data page	clary sage oil spain @ 0.25%
data page	cymbopogon citratus (dc.) stapf. oil cuba @ 0.40%
	geranium
data page	geranium leaf oil india @ 2.66%
data page	geranium oil africa @ 5.90%
data page	geranium oil bourbon @ 7.55%
data page	geranium oil china @ 1.92%
data page	geranium oil egypt @ 4.75%
data page	geranium oil moroccan @ 6.55%
data page	geranium oil rwanda @ 0.20%
data page	geranium petiole oil india @ 1.76%
data page	geranium stem oil india @ 2.31%
	hop
	lemon oil
data page	lime oil expressed florida @ trace%
	orange oil
data page	palmarosa oil @ trace%
data page	petitgrain sweet oil @ 0.31%
data page	rose oil otto bulgaria @ 0.06%
	tea black tea
	wine white wine
data page	witch hazel leaf oil @ 0.01%

information only - not sold by The Good Scents Company.

Top of Page The Good Scents Company Home