8-ocimen-1-yl acetate

8-ocimenyl acetate

CAS: 197098-61-6 C12 H18 O2 MW: 194.27386000

Identification

Name	8-ocimen-1-yl acetate
IUPAC	(2E,5Z)-2,6-dimethylocta-2,5,7-trien-1-yl acetate
CAS Number	197098-61-6
FDA UNII	W2V2V624KM
Molecular Formula	C12 H18 O2
Molecular Weight	194.27386000

Regulatory

JECFA Food Flavoring	1226 8-ocimenyl acetate
DG SANTE Food Flavourings	09.931 2,6-dimethyl-2,5,7-octatriene-1-ol acetate
FEMA Number	3886
FDA	No longer provide for the use of these seven synthetic flavoring substances

Physical Properties

Appearance	colorless clear liquid (est)
Assay	96.00 to 100.00 sum of isomers
Food Chemicals Codex Listed	No
Specific Gravity	0.93700 to 0.94700 @ 25.00 °C.
Pounds per Gallon - (est).	7.797 to 7.880
Refractive Index	1.49000 to 1.50000 @ 20.00 °C.
Boiling Point	70.00 °C. @ 2.30 mm Hg, 270.00 to 271.00 °C. @ 760.00 mm Hg
Acid Value	2.00 max. KOH/g
Vapor Pressure	0.007000 mmHg @ 25.00 °C. (est)
Flash Point	217.00 °F. TCC ( 102.78 °C. )
logP (o/w)	3.746 (est)
Soluble in	alcohol
Insoluble in	water

Organoleptic Properties

Odor Description

at 100.00 %.

Safety Information

Oral/Parenteral Toxicity	Not determined
Dermal Toxicity	Not determined
Inhalation Toxicity	Not determined

GHS Classification

['GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)', 'GHS Label elements, including precautionary statements']

Safety in Use

Category	flavoring agents
Recommendation for 8-ocimen-1-yl acetate usage levels up to	not for fragrance use.
Maximised Survey-derived Daily Intakes (MSDI-EU)	1.20 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA)	7.70 (μg/capita/day)
Modified Theoretical Added Maximum Daily Intake (mTAMDI)	1700 (μg/person/day)
Threshold of Concern	1800 (μg/person/day)
Structure Class	I
baked goods	-
beverages(nonalcoholic)	1.00000
beverages(alcoholic)	2.00000
breakfast cereal	-
cheese	-
chewing gum	20.00000
condiments / relishes	-
confectionery froastings	-
egg products	-
fats / oils	-
fish products	-
frozen dairy	-
fruit ices	-
gelatins / puddings	-
granulated sugar	-
gravies	-
hard candy	10.00000
imitation dairy	-
instant coffee / tea	2.00000
jams / jellies	-
meat products	-
milk products	2.00000
nut products	-
other grains	-
poultry	-
processed fruits	-
processed vegetables	-
reconstituted vegetables	-
seasonings / flavors	-
snack foods	-
soft candy	-
soups	-
sugar substitutes	-
sweet sauces	-
Dairy products, excluding products of category 02.0 (01.0)	5.03000
Fats and oils, and fat emulsions (type water-in-oil) (02.0)	0.50000
Edible ices, including sherbet and sorbet (03.0)	0.50000
Processed fruit (04.1)	-
Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2)	4.78000
Confectionery (05.0)	5.00000
Chewing gum (05.3)	2.20000
Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0)	3.79000
Bakery wares (07.0)	6.20000
Meat and meat products, including poultry and game (08.0)	0.79000
Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0)	0.50000
Eggs and egg products (10.0)	0.01000
Sweeteners, including honey (11.0)	0.51000
Salts, spices, soups, sauces, salads, protein products, etc. (12.0)	1.75000
Foodstuffs intended for particular nutritional uses (13.0)	0.01000
Non-alcoholic ("soft") beverages, excl. dairy products (14.1)	2.00000
Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2)	1.00000
Ready-to-eat savouries (15.0)	2.00000
Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0)	0.50000

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Potential Uses

None Found

Natural Occurrence

not found in nature

Synonyms

2,6- dimethyl-2,5,7-octatriene-1-ol acetate 2,6- dimethyl-2,5,7-octatriene-1-yl acetate 2,6- dimethyl-2,5,7-octatrienyl acetate (2E,5Z)-2,6- dimethylocta-2,5,7-trien-1-yl acetate 2,6- dimethylocta-2,5,7-trien-1-yl acetate 8- ocimenyl acetate 2,5,7- octatrien-1-ol, 2,6-dimethyl-, acetate piperitanate Try the PubMed Search.