2,10-epoxypinane 6931-54-0

2,10-epoxypinane

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IUPAC name :

6,6-dimethylspiro[bicyclo[3.1.1]heptane-2,2'-oxirane]

InChI :

InChI=1/C10H16O/c1-9(2)7-3-4-10(6-11-10)8(9)5-7/h7-8H,3-6H2,1-2H3

InChIKey :

OUXAABAEPHHZPC-UHFFFAOYAO

SMILES :

CC1(C)C2CC1C3(CC2)CO3

cas number :	6931-54-0
(EINECS) number :	230-055-8
beilstein number :	0105830
molar refractivity :	43.92 ± 0.4 cm3
parachor :	350.8 ± 6.0 cm3
index of refraction :	1.513 ± 0.03
surface tension :	33.3 ± 5.0 dyne/cm
density :	1.04 ± 0.1 g/cm3
polarizability :	17.41 ± 0.5 10-24cm3
XlogP :	2.60
molecular weight :	152.2334400 (IUPAC)
formula :	C10 H16 O
NMR Predictor :	Predict

export tariff code :

3302.90.0000

fda reg :

unspecified

Suppliers :

IFF :

Rosemarel
Odor: Herbal, Eucalyptus, Camphoraceous
Dry, herbal note of rosemary, pine, menthol and sage but free of the phenolic/medicinal character. Excellent for fresh, herbal compositions.

organoleptics :

odor type :

herbal

odor strength :

medium

odor description:
at 100.00 %.

rosemary sage herbal camphor
Luebke, William tgsc, (1983)

odor sample from :

International Flavors & Fragrances Inc.

substantivity :

6 hour(s) at 100.00 %

properties :

appearence :

colorless clear liquid

assay :

20.00 to 40.00 %

Food Chemicals Codex Listed :

specific gravity :

0.92300 to 0.93900 @ 25.00 °C.

pounds per gallon - calc. :

7.680 to 7.813

specific gravity :

0.92400 to 0.94000 @ 20.00 °C.

pounds per gallon - calc. :

7.698 to 7.831

refractive index :

1.47600 to 1.48200 @ 20.00 °C.

flash point :

108.00 °F. TCC ( 42.22 °C. )

logP (o/w) :

2.16

safety :

Oral Toxicity(LD50) :

Not determined

Dermal Toxicity(LD50) :

Not determined

Inhalation Toxicity(LC50) :

Not determined

safety in use :

Category :

fragrance agents

recommendation for 2,10-epoxypinane fragrance usage levels up to :

10.0000 % in the fragrance concentrate.

recommendation for 2,10-epoxypinane flavor usage levels up to :

not for flavor use.

safety references :

EPI System :

view

Chemical Carcinogenesis Research Information System :

Env. Mutagen Info. Center :

Canada Domestic Sub. List :

Yes

EPA Chem. Sub. Inventory :

Yes

6,6-dimethylspiro[bicyclo[3.1.1]heptane-2,2'-oxirane]

(EINECS) number :

230-055-8

chemidplus :

006931540

EPA Substance Registry Services :

6931-54-0

references :

6,6-dimethylspiro[bicyclo[3.1.1]heptane-2,2'-oxirane]

NIST Chemistry WebBook :

3557924300

pubchem :

669994

Cosmetics :

Cosmetic uses :

perfuming agents

other :

CosIng :

cosmetic data

VCF-Online:

VCF Volatile Compounds in Food

synonyms :
6,6-	dimethyl spiro(bicyclo(3.1.1)heptane-2,2-oxirane)
6,6-	dimethylspiro[bicyclo[3.1.1]heptane-2,2'-oxirane]
beta-	pinene epoxide
beta-	pinene oxide
	rosemarel
soluble in :
	alcohol
insoluble in :
	water
stability :
	alcoholic lotion
	antiperspirant
	deo stick
	detergent
	fabric softener
	hard surface cleaner
	shampoo
	soap
potential blenders : note
	acetoxymethyl isolongifolene	FR
	armoise oil	FR
	benzyl heptanoate	FR
	bergamot mint oil	FR
	cajuput oil	FL/FR
	cajuput oil vietnam	FL/FR
	cassis oxime 10%	FR
	chamomile oil morocco	FR
	champaca flower oil	FR
	clary propyl acetate	FR
	clary sage oil	FL/FR
	clary sage resin	FR
	costmary oil	FR
	damascone carboxylate	FR
	formoxymethyl isolongifolene	FR
	geranic oxide	FL/FR
	guaiacyl phenyl acetate	FL/FR
	heptyl benzoate
	herbal carene	FR
	herbal dioxane	FR
	herbal undecanol	FR
	lavender oil spike france	FL/FR
	lavender oil spike spain	FL/FR
	lavender spike absolute	FL/FR
	linalyl isovalerate	FL/FR
	marjoram oil sweet cuba	FL/FR
	marjoram oil sweet egypt	FL/FR
	origanum oil	FL/FR
	origanum oil turkey	FL/FR
	pennyroyal oil	FL/FR
	pinocarveol	FL/FR
	rosemary oil	FL/FR
	rosemary oil CO2 extract	FL/FR
	rosemary oil morocco	FL/FR
	rosemary oleoresin	FL/FR
	sage absolute spain	FL/FR
	sage oil	FL/FR
	savory oil summer	FL/FR
	savory oil winter	FL
	sclarene
	seaweed absolute	FL/FR
	terpinyl butyrate	FL/FR
	thioguaiacol	FL
	thyme oil	FL/FR
	thyme oil white	FL/FR
potential uses :
	clean
	herbal
	mint
	rose
	rosemary
	sage
	woody
natural occurrence in : note
	found in nature

information only - not sold by The Good Scents Company.

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