(E)-3-hexenoic acid

General Material Information

Preferred name	(E)-3-hexenoic acid
Trivial Name	trans-3-Hexenoic acid
Short Description	trans-3-hexenoic acid
Formula	C6 H10 O2
CAS Number	1577-18-0
FEMA Number	3170
ECHA Number	216-417-8
FDA UNII	9B3N069EDG
Nikkaji Number	J98.004H
Beilstein Number	1700862
MDL	MFCD00002786
COE Number	2256
xLogP3-AA	1.20 (est)
NMR Predictor	External link
FDA Patent	No longer provide for the use of these seven synthetic flavoring substances
Synonyms	(3E)- hex-3-enoic acid (E)- hex-3-enoic acid trans- hex-3-enoic acid trans- hex-3-ensaeure (3E)-3-hexenoic acid 3-trans- hexenoic acid T3 hexenoic acid trans-3-hexenoic acid 3-hexenoic acid, (3E)- 3-hexenoic acid, (E)- trans-3-hexenoicacid 3-Hexenoic acid, (3E)- 3-Hexenoic acid, (E)- (3E)-3-Hexenoic acid trans-3-Hexenoic acid 3(E)-Hexenoic acid (3E)-Hex-3-enoic acid (E)-Hex-3-enoic acid

Publications by PubMed
Use of long-chain fatty acid-CoA ligase (AMP-forming) from Pseudomonas fragi for the 'in vitro' synthesis of natural penicillins.

(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
CHEBI:	View
HMDB (The Human Metabolome Database):	HMDB10384
Export Tariff Code:	2916.19.3000
VCF-Online:	VCF Volatile Compounds in Food
ChemSpider:	View

Apple Flavor & Fragrance	Bedoukian Research
Beijing Lys Chemicals	Berjé
BOC Sciences	Charkit Chemical
Citrus and Allied Essences	EGNO Chimie
FCI SAS	Frutarom
IFF	Kingchem Laboratories
Lluch Essence	M&U International
Penta International	Reincke & Fichtner
Santa Cruz Biotechnology	Shanghai Vigen Fine Chemical
Sigma-Aldrich	Sunaux International
Synerzine	Taytonn ASCC
TCI AMERICA	Tianjin Danjun International
WholeChem	Bedoukian Research, Inc.
Beijing Lys Chemicals Co, LTD.	Berje Inc.
Charkit Chemical Corporation	FRUTAROM USA INC,
Lluch Essence S.L.	M&U International LLC
Penta International Corporation	Synerzine, Inc.
Taytonn ASCC Pte Ltd	Tianjin Danjun International Trade Co., LTD.
WholeChem, LLC

Material listed in food chemical codex	No
Molecular weight	114.14409637451
Specific gravity	@ 25 °C
Pounds per Gallon	7.481 to 8.071
Refractive Index	1.43 to 1.45 @ 20 °C
Melting Point	11 to 12°C @ 760 mm Hg
Boiling Point	118 to 119°C @ 22 mm Hg
Boiling Point	81 to 92°C @ 2 mm Hg
Vapor Pressure	0.083 mmHg @ 25 °C
Vapor Density	1
Flash Point TCC Value	110 °C TCC
logP (o/w)	1.344 est
Solubility
alcohol	Yes
propylene glycol	Yes
water, 7069 mg/L @ 25 °C (est)	Yes
water	No

Odor Type: Cheesy
fruity, honey, acidic, cheesy, green, dairy, waxy
Odor strength	high , recommend smelling in a 1.00 % solution or less
Substantivity	228 hour(s) at 100.00 %
General comment	At 1.00 % in dipropylene glycol. powerful fruity honey acid
Mosciano, Gerard P&F 18, No. 1, 43, (1993)	Cheesy, green, dairy-like with a waxy fruity nuance
Flavor Type: Green
green, dairy, vegetable, melon
Mosciano, Gerard P&F 18, No. 1, 43, (1993)	At 50.00 ppm. Green, dairy-like with a vegetable and melon nuance
Sharp, acidic backnotes of all types of fruits, especially raspberry and strawberry, pineapple, apple, aged cheeses, and other dairy applications. May also be good for honey flavors.	Strong acidic, cheesy character, with honey backnotes
General comment	Acidic honey taste of excellent tenacity

Applications	flavoring agents
Odor purposes	Fruit, Melon, Passion fruit
Flavoring purposes	Banana, Berry mixed berry, Cheese, Green, Raspberry, Tomato, Wine sherry wine

Preferred SDS: View
European information :
Most important hazard(s):
C - Corrosive.
R 34 - Causes burns. R 36/38 - Irritating to skin and eyes. S 02 - Keep out of the reach of children. S 24/25 - Avoid contact with skin and eyes. S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S 28 - After contact with skin, wash immediately with plenty of water. S 36/37/39 - Wear suitable clothing, gloves and eye/face protection.

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

Category:
flavoring agents
Recommendation for (E)-3-hexenoic acid usage levels up to:
	not for fragrance use.

Maximised Survey-derived Daily Intakes (MSDI-EU):		9.40 (μg/capita/day)
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: 4
Click here to view publication 4
		average usual ppm	average maximum ppm
baked goods:		-	10.00000
beverages(nonalcoholic):		-	10.00000
beverages(alcoholic):		-	-
breakfast cereal:		-	-
cheese:		-	-
chewing gum:		-	10.00000
condiments / relishes:		-	-
confectionery froastings:		-	-
egg products:		-	-
fats / oils:		-	-
fish products:		-	-
frozen dairy:		-	10.00000
fruit ices:		-	10.00000
gelatins / puddings:		-	10.00000
granulated sugar:		-	-
gravies:		-	-
hard candy:		-	10.00000
imitation dairy:		-	-
instant coffee / tea:		-	-
jams / jellies:		-	-
meat products:		-	-
milk products:		-	50.00000
nut products:		-	-
other grains:		-	-
poultry:		-	-
processed fruits:		-	-
processed vegetables:		-	-
reconstituted vegetables:		-	-
seasonings / flavors:		-	-
snack foods:		-	-
soft candy:		-	-
soups:		-	-
sugar substitutes:		-	-
sweet sauces:		-	-