propyl octanoate

octanoic acid, propyl ester

CAS: 624-13-5 C11 H22 O2 MW: 186.29474000 coconut

All Ingredients Aromatic Ingredients CAS Numbers EINECS Numbers FLAVIS Numbers Flavor Ingredients Found in Nature Fragrance Ingredients IUPAC Names M.W Index Odor Substantivity Refractive Index Specific Gravity

Identification

Name	propyl octanoate
IUPAC	propyl octanoate
CAS Number	624-13-5
EINECS	210-830-7
FDA UNII	VU5LA9XGW7
Molecular Formula	C11 H22 O2
Molecular Weight	186.29474000
MDL Number	MFCD00056317
Nikkaji Number	J115.086C
Beilstein	1759126
CoE Number	10892

Regulatory

DG SANTE Food Flavourings

09.816 propyl octanoate

Physical Properties

Appearance	colorless clear liquid (est)
Assay	97.00 to 100.00
Food Chemicals Codex Listed	No
Specific Gravity	0.86100 to 0.86700 @ 25.00 °C.
Pounds per Gallon - (est).	7.164 to 7.214
Refractive Index	1.41800 to 1.42400 @ 20.00 °C.
Boiling Point	225.00 to 226.00 °C. @ 760.00 mm Hg
Vapor Pressure	0.090000 mmHg @ 25.00 °C. (est)
Flash Point	190.00 °F. TCC ( 87.78 °C. )
logP (o/w)	4.352 (est)
Soluble in	alcohol
Insoluble in	water
Similar Items	note

Cosmetic Information

CosIng	cosmetic data
Cosmetic Uses	perfuming agents

Organoleptic Properties

Odor Description

at 100.00 %.

Safety Information

Preferred SDS	View
European information	Most important hazard(s):
Oral/Parenteral Toxicity	oral-rat LD50 > 5000 mg/kg
Dermal Toxicity	skin-rabbit LD50 > 5000 mg/kg
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	flavor and fragrance agents
RIFM Fragrance Material Safety Assessment	Search
Recommendation for propyl octanoate usage levels up to	3.0000 % in the fragrance concentrate.
Maximised Survey-derived Daily Intakes (MSDI-EU)	2.60 (μg/capita/day)
Modified Theoretical Added Maximum Daily Intake (mTAMDI)	3900 (μg/person/day)
Threshold of Concern	1800 (μg/person/day)
Structure Class	I
Dairy products, excluding products of category 02.0 (01.0)	7.00000
Fats and oils, and fat emulsions (type water-in-oil) (02.0)	5.00000
Edible ices, including sherbet and sorbet (03.0)	10.00000
Processed fruit (04.1)	7.00000
Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2)	-
Confectionery (05.0)	10.00000
Chewing gum (05.3)	-
Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0)	5.00000
Bakery wares (07.0)	10.00000
Meat and meat products, including poultry and game (08.0)	2.00000
Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0)	2.00000
Eggs and egg products (10.0)	-
Sweeteners, including honey (11.0)	-
Salts, spices, soups, sauces, salads, protein products, etc. (12.0)	5.00000
Foodstuffs intended for particular nutritional uses (13.0)	10.00000
Non-alcoholic ("soft") beverages, excl. dairy products (14.1)	5.00000
Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2)	10.00000
Ready-to-eat savouries (15.0)	20.00000
Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0)	5.00000

Alfrebro LLC/ Archer Daniels Midland Company

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624-13-5 Propyl Octanoate

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