bornyl acetate 76-49-3

bornyl acetate

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IUPAC name :

(1,7,7-trimethyl-6-bicyclo[2.2.1]heptanyl) acetate

InChI :

InChI=1/C12H20O2/c1-8(13)14-10-7-9-5-6-12(10,4)11(9,2)3/h9-10H,5-7H2,1-4H3

InChIKey :

KGEKLUUHTZCSIP-UHFFFAOYAS

SMILES :

CC(=O)OC1CC2CCC1(C2(C)C)C

cas number :	76-49-3
(EINECS) number :	200-964-4
fema number :	2159
coe number :	207
jecfa number :	1387
fl. number :	09.017
molar refractivity :	55.34 ± 0.4 cm3
parachor :	465.6 ± 6.0 cm3
index of refraction :	1.480 ± 0.03
surface tension :	32.6 ± 5.0 dyne/cm
density :	1.00 ± 0.1 g/cm3
polarizability :	21.94 ± 0.5 10-24cm3
XlogP :	3.50
XlogP3 :	3.30
molecular weight :	196.2860000 (IUPAC)
formula :	C12 H20 O2
BioActivity Analysis :	476990
NMR Predictor :	Predict

export tariff code :

unspecified

fda reg :

Suppliers :

bornyl acetate
30-50% min. nature identical kosher

Bornyl acetate
≥97%

Bornyl Acetate
≥85% as Isobornyl and Bornyl acetates
Odor: Sweet herbaceous-piney

organoleptics :

odor type :

balsamic

odor strength :

medium

odor description :
at 100.00 %.

woody pine herbal cedar spice

properties :

appearence :

colorless clear liquid

assay :

98.00 to 100.00 %

Food Chemicals Codex Listed :

specific gravity :

0.98100 to 0.98500 @ 25.00 °C.

pounds per gallon - calc. :

8.163 to 8.196

refractive index :

1.46200 to 1.46600 @ 20.00 °C.

melting point :

26.00 to 29.00 °C. @ 760.00 mm Hg

boiling point :

228.00 to 231.00 °C. @ 760.00 mm Hg

congealing point :

25.10 °C.

acid value :

1.00 max. KOH/g

vapor pressure :

0.22800 mm/Hg @ 25.00 °C.

flash point :

192.00 °F. TCC ( 88.89 °C. )

logP (o/w) :

3.86

safety :

most important hazard(s) :

Xi - Irritant

R 36/37/38 - Irritating to eyes, respiratory system, and skin.
S 02 - Keep out of the reach of children.
S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S 36/37/39 - Wear suitable clothing, gloves and eye/face protection.

Oral Toxicity(LD50) :

Not determined

Dermal Toxicity(LD50) :

Not determined

Inhalation Toxicity(LC50) :

Not determined

safety in use :

Maximised Survey-derived Daily Intakes (MSDI-EU) :

18.00 (μg/capita/day)

Maximised Survey-derived Daily Intakes (MSDI-USA) :

3.00 (μg/capita/day)

Structure Class :

recommendation for bornyl acetate usage levels up to :

9.0000 % in the fragrance concentrate.

recommendation for bornyl acetate usage levels up to :

10.0000 ppm in the flavor.

safety references :

European Food Safety Athority(efsa) :

Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies...

EPI System :

view

Env. Mutagen Info. Center :

Canada Domestic Sub. List :

Yes

EPA Chem. Sub. Inventory :

Yes

WGK Germany :

(1,7,7-trimethyl-6-bicyclo[2.2.1]heptanyl) acetate

(EINECS) number :

200-964-4

chemidplus :

000076493

EPA Substance Registry Services :

76-49-3

dtp/nci :

407158

references :

(1,7,7-trimethyl-6-bicyclo[2.2.1]heptanyl) acetate

fl. number :

09.017

jecfa number :

1387

NIST Chemistry WebBook :

951278872

pubchem :

149397

other :

VCF-Online:

VCF Volatile Compounds in Food

FDA Everything Added to Food in the United States (EAFUS)

View

synonyms :
	borneol acetate
	bornyl acetic ether
	bornyl ethanoate
endo-2-	camphanol acetate
endo-2-	camphanyl acetate
endo-2-	camphanyl ethanoate
endo-1,7,7-	trimethyl bicyclo(2.2.1)hept-2-yl acetate
(1R,2S,4R)-rel-1,7,7-	trimethyl bicyclo(2.2.1)heptan-2-ol acetate
(1,7,7-	trimethyl-6-bicyclo[2.2.1]heptanyl) acetate
soluble in :
	alcohol
	dipropylene glycol
	water, 23.2 mg/L @ 25C
insoluble in :
	water
stability :
	bath foam
	cream
	non-discoloring in most media
	soap
(odor and/or flavor) blends with :
	allyl butyrate
	amber carane
	amber decane
	amber decatriene
	ambrene acetal
	ambroxide
	amyris acetate
	anise indene
	atractylis root oil
3-	benzyl-4-heptanone
	bois de rose oil
	borneol
laevo-	borneol
laevo-	bornyl acetate
iso	bornyl methyl ether
iso	butyl furyl propionate
	butyl isobutyrate
	camphene
	caryophyllene
beta-	caryophyllene
iso	caryophyllene
alpha-	caryophyllene alcohol
	caryophyllene alcohol acetate
beta-	caryophyllene oxide
	cedanol
	cedar cyclododecatriene
	cedarleaf oil western red
	cedarwood oil atlanta
	cedarwood oil atlas
	cedarwood oil himalaya
	cedarwood oil port orford
	cedarwood oil texas
	cedarwood oil virginia
	cedralone
	cedrela wood oil
alpha-	cedrene
	cedrenol
	cedrenyl acetate
	cedrol
	cedryl acetate
	cherry pentenoate
	cinnamon acrolein
	cinnamon leaf oil
	cistus oil
alpha-	copaene
	coranol
	cubeb oil
iso	cyclocitral
para-	cymene
	cypress oil
	dihydrojasmone
	dihydrolinalool
3,6-	dimethyl-3-octanol
(E+Z)-4,8-	dimethyl-3,7-nonadien-2-ol
	elemi oil
	ethyl (E)-2-octenoate
	ethyl levulinate
	ethyl linalool
	ethyl linalyl acetal
	ethyl linalyl acetate
	ethyl linalyl ether
	fenchyl alcohol
	frankincense absolute
(E)-	germacrene D
	ginger oleoresin
	guaiacwood oil
	guaiyl acetate
	gurjun balsam
	hemlock western oil
	hibawood oil
	ho leaf oil
	ho wood oil
	huon pine wood oil
6-	hydroxydihydrotheaspirane (mixture of isomers)
(Z)-	jasmone
	juniper berry oleoresin
laevo-	limonene
	linalool
dextro-	linalool
laevo-	linalool
	linalool oxide
	linalyl anthranilate
	marine formate
	methyl hexyl ketone
para-	methyl hydratropaldehyde
1-	methyl pyrrole
4-	methyl-2,6-dimethoxyphenol
	mimosa absolute
gamma-	muurolene
	myrtenol
	myrtenyl formate
	myrtenyl isobutyrate
	nopyl acetate
	nopyl aldehyde
	octanal diethyl acetal
3-	octanol
	octyl phenyl acetate
	opoponax absolute
	origanum vulgare l. ssp. vulgare oil himalaya
	parsley seed oil
	patchouli indene
	pepper oleoresin white
	petitgrain bigarade oil
(Z)-2-	pinanol
	pine needle oil dwarf
	pine needle oil scotch siberia
	pineapple heptadienone 10%
(+)-beta-	pinene
laevo-beta-	pinene
	pinocarveol
	pinus sylvestris l. needle oil estonia
	pinus sylvestris l. needle oil yugoslavia
	polylimonene
4-iso	propyl-2-cyclohexenone
	rhubarb oxirane
	sabinene
	salvia atropatana bunge oil iran
	spicy pentanone
	spikenard oil
	spruce oil
	sugi wood oil
	tansy flower oil canada
	tansy flower oil dutch
	tansy leaf oil dutch
	tansy oil
	terpinolene
	tetrahydrolinalool
	theaspirane
	thyme oil wild or creeping
	tricyclo(5.2.1.02,6)dec-3-enyl acetate
	tricyclodecenyl acetate
	vanillin propylene glycol acetal
	woody acetate
	woody dodecane
	woody ether
	woody ketone
	zedoary bark oil
(odor and/or flavor) used in :
	castoreum
	fir
	fir balsam
	fir needle
	gin
	herbal
	mango
	orris iris
	pine
	spice
	woody
natural occurrence in :
data page	alpinia galanga oil @ 2.50%
data page	angelica root oil @ 1.78%
data page	angelica seed oil @ 0.30%
data page	angelica seed oil CO2 extract @ 1.80%
data page	armoise oil morocco @ 0.1%
data page	artemisia deserti krasch. oil iran @ 0.80%
data page	artemisia diffusa krasch. ex poljak oil iran @ 2.00%
data page	artemisia gypsacea krasch. oil iran @ 4.30%
data page	basil oil sweet poland @ 0.67%
data page	basil oil var. glabratum turkey @ 1.08%
data page	bergamot oil @ 0.010-0.037%
data page	blood orange oil (citrus sinensis l. var. sanguinello) italy @ 0.013%
data page	blood orange oil (citrus sinensis l. var. tarocco) italy @ 0.015%
data page	blood orange oil italy @ 0.016%
data page	calamus leaf oil @ 0.25%
data page	calamus root oil @ 0.04%
data page	calamus root oil mongolia @ 4.60%
data page	cassis bud oil @ 0.00-2.00%
data page	cedarleaf oil canada @ 1.20-2.20%
data page	chamomile oil morocco @ 2.20%
data page	champaca concrete @ 0.03%
data page	cistus oil @ 1.7%
data page	citronella oil ceylon @ 0.42%
data page	citronella oil zimbabwe @ 0.54%
data page	clary sage oil france @ trace%
data page	clary sage oil greece @ trace%
data page	clary sage oil spain @ 1.11%
data page	costmary oil @ 0.46%
data page	croton cajucara benth. leaf oil brazil @ trace%
data page	croton flavens l. (welensali) leaf oil curacao @ 0.20%
data page	cumin seed oil turkey @ 0.2%
data page	curry fruit oil india @ 0.40%
data page	curry leaf oil india @ 0.70%
data page	cypress cone oil egypt @ 0.4%
data page	cypress oil @ trace-0.13%
data page	dill weed oil reunion @ 0.10%
data page	erigeron graveolens l. oil iran @ 6.80%
data page	featherfew leaf oil @ 1.90%
data page	feverfew flower oil @ 0.7%
data page	feverfew leaf oil belgium @ 0.7%
data page	fir needle oil canada @ 4.89-16.22%
data page	fir needle oil siberia @ 30.96%
data page	frankincense oil somalia @ 1.10%
data page	galangal root oil @ 0.50%
data page	ginger root oil china @ 0.23%
data page	hinoki leaf oil @ 7.15%
data page	hinoki root oil @ 0.65%
data page	hinoki wood oil @ 0.40%
data page	ho leaf oil @ 0.18%
data page	juniper berry oil @ 0.40%
data page	juniper branch oil @ 0.15%
data page	juniper needle oil @ 0.40%
data page	kachur oil @ 0.30%
data page	kewda oil @ trace-0.46%
data page	labdanum leaf oil @ 3.10%
data page	labdanum oil @ 2.40%
data page	laurel leaf oil turkey @ 0.70%
data page	laurel leaf oil turkey @ trace-0.10%
data page	laurel leaf oil turkey @ trace-0.30%
data page	lavandin oil grosso @ 0.24%
data page	lavandin water (lavandula hydrida) @ 0.09%
data page	lavender oil france @ 0.06%
data page	lavender oil spike spain @ 0.10%
data page	lavender spike water @ 0.06%
data page	lavender water bulgaria @ 0.20%
data page	layana oil kenya @ 0.23%
data page	layana oil wild zimbabwe @ 0.30-1.50%
data page	layana oil zimbabwe @ 0.5%
data page	lime oil distilled peru @ 0.02%
data page	lime oil expressed florida @ trace%
data page	lovage flower oil @ 0.42%
data page	lovage leaf oil @ 0.38%
data page	lovage root oil @ 0.26%
data page	lovage seed oil @ 0.70%
data page	mace oil east india @ 0.09%
data page	marjoram oil sweet cuba @ 0.49%
data page	marjoram oil sweet cyprus @ 0.10-0.90%
data page	marjoram oil sweet morocco @ 2.17%
data page	marsypianthes chamaedrys (vahl) kuntze oil brazil @ 0.30%
data page	mastic oil @ 0.10%
data page	mikan peel oil @ trace%
data page	nutmeg oil india @ 0.11%
data page	orange peel oil sweet c.p. blond italy @ 0.012%
data page	orange peel oil sweet c.p. blond italy @ 0.014%
data page	orange peel oil sweet c.p. blond italy @ 0.016%
data page	orange peel oil sweet c.p. blond italy @ 0.026%
data page	orange peel oil sweet c.p. blond italy @ 0.040%
data page	origanum oil greece @ trace%
data page	osmanthus absolute @ 0.16%
data page	otanthus maritimus (l.) hoffmans oil greece @ 1.30%
data page	parsley leaf oil @ 0.02%
data page	peppermint oil CO2 extract @ 0.20%
data page	pine needle oil dwarf @ 0.43%
data page	pine needle oil scotch siberia @ 1.1-3.2%
data page	pinus laricio poiret cone oil italy @ 1.80%
data page	pinus sylvestris l. needle oil estonia @ 1.80%
data page	rosemary oil china @ 0.83%
data page	rosemary oil corsica @ 8.70%
data page	rosemary oil egypt @ 7.59%
data page	rosemary oil france @ 1.19-14.32%
data page	rosemary oil morocco @ 0.12-0.86%
data page	rosemary oil spain @ 1.4%
data page	rosemary oil turkey @ 1.64%
data page	sage oil albania @ 5.00%
data page	sage oil dalmatian @ 0.10%
data page	sage oil england @ 1.30%
data page	sage oil germany @ 2.41%
data page	sage oil hydrodistillation france @ 2.00%
data page	sage oil lithuania @ 1.34%
data page	sage oil reunion @ 0.40%
data page	sage oil sardinia @ 1.50%
data page	sage oil spain @ 0.8-4.9%
data page	sage oil spain @ 1.1%
data page	sage oil spain @ 1.40%
data page	snake root oil canada @ 1.50%
data page	tagete flower oil rwanda @ trace%
data page	tagete oil rwanda @ trace%
data page	tansy flower oil dutch @ 1.00%
data page	tansy leaf oil dutch @ 0.90%
data page	taxodium distichum (l.) richard branch oil italy @ 5.60%
data page	taxodium distichum (l.) richard cone oil italy @ 1.00%
data page	taxodium distichum (l.) richard leaf oil italy @ 1.50%
data page	thyme oil portuguese @ trace%
data page	thyme oil red CO2 extract @ 0.37%
data page	thyme oil red spain @ 0.04-0.07%
data page	thyme oil wild or creeping finland @ 3.50%
data page	valerian root oil @ 2.3-33.5%
data page	valerian root oil china @ 46.22%
data page	valerian root oil CO2 extract china @ 36.07%
data page	wormwood oil cuba @ 23.02%
data page	wormwood oil italy @ trace%
data page	yarrow leaf oil @ 4.00%
data page	yarrow oil @ 0.60%
data page	yarrow oil hungary @ 0.80%

information only - not sold by The Good Scents Company.

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