3-octenoic acid

flavoring agents

2D:
3D:
CAS Number:	1577-19-1
ECHA EC Number:	216-418-3
FDA UNII:	52M4D39OOY
CoE Number:	10157
Category:	flavoring agents
IUPAC Name:	3-octenoic acid
InChI :	InChI=1/C8H14O2/c1-2-3-4-5-6-7-8(9)10/h5-6H,2-4,7H2,1H3,(H,9,10)
Std.InChI:	InChI=1S/C8H14O2/c1-2-3-4-5-6-7-8(9)10/h5-6H,2-4,7H2,1H3,(H,9,10)
InChIKey :	IWPOSDLLFZKGOW-UHFFFAOYAR
Std.InChIKey:	IWPOSDLLFZKGOW-UHFFFAOYSA-N
SMILES :	CCCCC=CCC(=O)O
MDL:	MFCD00016562
Molar Refractivity :	40.73 ± 0.3 cm3 (est)
Parachor :	359.4 ± 4.0 cm3 (est)
Index of Refraction :	1.459 ± 0.02 (est)
Surface Tension :	34.0 ± 3.0 dyne/cm (est)
Density :	0.955 ± 0.06 g/cm3 (est)
Polarizability :	16.14 ± 0.5 10-24cm3 (est)

US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:

Google Scholar:	Search
Google Books:	Search
Google Scholar: with word "volatile"	Search
Google Scholar: with word "flavor"	Search
Google Scholar: with word "odor"	Search
Perfumer and Flavorist:	Search
Google Patents:	Search
US Patents:	Search
EU Patents:	Search
Pubchem Patents:	Search
PubMed:	Search
NCBI:	Search
JECFA Food Flavoring:	1627 3-octenoic acid
FEMA Number:	4362 3-octenoic acid
FDA:	No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF):	1577-19-1 ; 3-OCTENOIC ACID

Physical Properties:

Appearance:	white solid (est)
Assay:	95.00 to 100.00
Food Chemicals Codex Listed:	No
Specific Gravity:	0.92800 to 0.93800 @ 20.00 °C.
Pounds per Gallon - (est).:	7.731 to 7.814
Refractive Index:	1.44300 to 1.45000 @ 20.00 °C.
Boiling Point:	240.00 to 242.00 °C. @ 760.00 mm Hg
Vapor Pressure:	0.010000 mmHg @ 25.00 °C. (est)
Flash Point:	286.00 °F. TCC ( 141.11 °C. )
logP (o/w):	2.363 (est)
Soluble in:
	alcohol
	water, slightly
	water, 797.6 mg/L @ 25 °C (est)
Insoluble in:
	water

Organoleptic Properties:

oily fatty

Cosmetic Information:

None found

Suppliers:

BOC Sciences

For experimental / research use only.

3-Octenoic Acid 95%

Nagar Haveli Perfumes & Aromatics

3-Octenoic Acid

Odor: Oily fatty

Parchem

3-octenoic acid

Santa Cruz Biotechnology

For experimental / research use only.

3-Octenoic Acid

Sigma-Aldrich: Aldrich

For experimental / research use only.

3-Octenoic Acid

sds

TCI AMERICA

For experimental / research use only.

3-Octenoic acid >94.0%(GC)

sds

WholeChem

3-Octenoic acid

Chemical Sources Association

Need This Item for Flavor/Food?: You can contact the Chemical Sources Association

Safety Information:

Preferred SDS: View

Hazards identification

Classification of the substance or mixture
GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)
None found.
GHS Label elements, including precautionary statements

Pictogram

Hazard statement(s)
None found.
Precautionary statement(s)
None found.
Oral/Parenteral Toxicity:
Not determined
Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined

Safety in Use Information:

Category:
flavoring agents
Recommendation for 3-octenoic acid usage levels up to:
	not for fragrance use.

Use levels for FEMA GRAS flavoring substances on which the FEMA Expert Panel based its judgments that the substances are generally recognized as safe (GRAS).
The Expert Panel also publishes separate extensive reviews of scientific information on all FEMA GRAS flavoring substances and can be found at FEMA Flavor Ingredient Library
publication number: 23
Click here to view publication 23
		average usual ppm	average maximum ppm
baked goods:		-	-
beverages(nonalcoholic):		-	-
beverages(alcoholic):		-	-
breakfast cereal:		-	-
cheese:		-	-
chewing gum:		-	-
condiments / relishes:		-	-
confectionery froastings:		-	-
egg products:		-	-
fats / oils:		2.00000	10.00000
fish products:		-	-
frozen dairy:		-	-
fruit ices:		-	-
gelatins / puddings:		-	-
granulated sugar:		-	-
gravies:		-	-
hard candy:		-	-
imitation dairy:		0.50000	2.50000
instant coffee / tea:		-	-
jams / jellies:		-	-
meat products:		0.50000	2.50000
milk products:		-	-
nut products:		-	-
other grains:		-	-
poultry:		-	-
processed fruits:		-	-
processed vegetables:		-	-
reconstituted vegetables:		-	-
seasonings / flavors:		5.00000	25.00000
snack foods:		1.00000	5.00000
soft candy:		-	-
soups:		-	-
sugar substitutes:		-	-
sweet sauces:		-	-

Safety References:

EPI System: View

AIDS Citations:Search

Cancer Citations:Search

Toxicology Citations:Search

EPA Substance Registry Services (TSCA):1577-19-1

EPA ACToR:Toxicology Data

EPA Substance Registry Services (SRS):Registry

Laboratory Chemical Safety Summary :15307

National Institute of Allergy and Infectious Diseases:Data

WISER:UN 3265

WGK Germany:1

oct-3-enoic acid

Chemidplus:0001577191

RTECS:RH0175000 for cas# 1577-19-1

References:

	oct-3-enoic acid
NIST Chemistry WebBook:	Search Inchi
Canada Domestic Sub. List:	1577-19-1
Pubchem (cid):	15307
Pubchem (sid):	134981190

Other Information:

(IUPAC):	Atomic Weights of the Elements 2011 (pdf)
Videos:	The Periodic Table of Videos
tgsc:	Atomic Weights use for this web site
(IUPAC):	Periodic Table of the Elements
FDA Substances Added to Food (formerly EAFUS):	View
HMDB (The Human Metabolome Database):	Search
FooDB:	FDB009959
Export Tariff Code:	2916.19.3000
VCF-Online:	VCF Volatile Compounds in Food
ChemSpider:	View