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(Z)-3-hexen-1-yl lactate

Chemical Structure

General Material Information

Preferred name (Z)-3-hexen-1-yl lactate
Trivial Name (Z)-3-Hexenyl lactate
Short Description cis-3-hexenyl lactate
Formula C9 H16 O3
CAS Number 61931-81-5
FEMA Number 3690
Flavis Number 9.545
ECHA Number 263-337-4
FDA UNII 55ET6N4SAG
Nikkaji Number J150.772I
MDL MFCD00036495
COE Number 10681
xLogP3-AA 1.60 (est)
NMR Predictor External link
JECFA Food Flavoring 934 cis-3-hexenyl lactate
FDA Patent No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm 61931-81-5 ; CIS-3-HEXENYL LACTATE
Synonyms
  • hex-(3Z)-enyl lactate
  • (3Z)- hex-3-en-1-yl 2-hydroxypropanoate
  • (Z)- hex-3-enyl lactate
  • [(Z)- hex-3-enyl] 2-hydroxypropanoate
  • (Z)-3-hexen-1-yl 2-hydroxypropanoate
  • cis-3-hexen-1-yl 2-hydroxypropanoate
  • (Z)-3-hexen-1-yl lactate
  • cis-3-hexen-1-yl lactate
  • cis-3-hexenyl 2-hydroxypropanoate
  • 3-hexenyl 2-hydroxypropanoate, cis-
  • hexenyl cis-3 lactate (hydroxypropanoate)
  • (Z)-3-hexenyl lactate
  • C3 hexenyl lactate
  • cis-3-hexenyl lactate
  • cis-3-hexenyl lactate natural
  • 3-hexenyl lactate, (Z)-
  • 3-hexenyl lactate, cis-
  • cis-3-hexenyl lactate, no antioxidant
  • 2-hydroxypropanoic acid (3Z)-3-hexen-1-yl ester
  • (Z)- hydroxypropanoic acid 3-hexen-1-yl ester
  • lactic acid cis-3-hexen-1-yl ester
  • lactic acid cis-3-hexenyl ester
  • leaf lactate
  • popanoic acid, 2-hydroxy-, (3Z)-3-hexenyl ester
  • propanoic acid, 2-hydroxy-, (3Z)-3-hexen-1-yl ester
  • propanoic acid, 2-hydroxy-, 3-hexenyl ester, (Z)-
  • [(Z)-hex-3-enyl] 2-hydroxypropanoate
  • Propanoic acid, 2-hydroxy-, (3Z)-3-hexenyl ester
  • (Z)-3-Hexenyl lactate
  • cis-3-Hexenyl lactate

US / EU / FDA / JECFA / FEMA / Scholar / Patents

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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):HMDB36213
FooDB:FDB015071
Export Tariff Code:2918.11.5100
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 172.22412109375
Specific gravity @ 25 °C
Pounds per Gallon 8.055 to 8.188
Refractive Index 1.441 to 1.451 @ 20 °C
Acid Value 1 max KOH/g
Vapor Pressure 0.003 mmHg @ 25 °C
Flash Point TCC Value 112.78 °C TCC
logP (o/w) 1.575 est
Shelf life 24 months (or longer if stored properly.)
Storage notes Store in cool, dry place in tightly sealed containers, protected from heat and light.
Solubility
alcohol Yes
water, slightly Yes
water, 8925 mg/L @ 25 °C (est) Yes
water No

Organoleptic Properties

Odor Type: Green
green, leafy, sweet, melon, waxy, violet leaf, tropical, fruity, vegetable
Odor strength medium
Substantivity 21 hour(s) at 100.00 %
Luebke, William tgsc, (2009) At 100.00 %. green leafy sweet melon waxy violet leaf tropical fruity
Mosciano, Gerard P&F 14, No. 6, 47, (1989) Green leafy, sweet with melon and vegetable nuances
Flavor Type: Green
green, leafy, waxy, fruity, tropical
Mosciano, Gerard P&F 14, No. 6, 47, (1989) At 50.00 ppm. Green leafy waxy with fruity tropical nuances
Can be used for tomato and other vegetable flavors. Great for pear, apple, melon, and strawberry. Also enhances caramel. Fruity, green
General comment GREEN,LEAFY,WAXY,FRUITY,TROPICAL

Occurrences

Potential Uses

Applications
Odor purposes Apple, Melon, Mint, Pear, Strawberry
Flavoring purposes Caramel, Fruit tropical fruit, Tomato, Vegetable
Other purposes Waxy
Cosmetic purposes Perfuming agents

Safety Information

Safety information

Preferred SDS: View
European information :
Most important hazard(s):
Xi - Irritant
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 36 - Wear suitable protective clothing.
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:
flavor and fragrance agents
RIFM Fragrance Material Safety Assessment: Search
IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice
Recommendation for (Z)-3-hexen-1-yl lactate usage levels up to:
10.0000 % in the fragrance concentrate.
Maximised Survey-derived Daily Intakes (MSDI-EU): 33.00 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA): 5.00 (μg/capita/day)
Structure Class: I
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: 13
Click here to view publication 13
average usual ppmaverage maximum ppm
baked goods: -20.00000
beverages(nonalcoholic): -1.00000
beverages(alcoholic): -5.00000
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: -5.00000
fruit ices: --
gelatins / puddings: -5.00000
granulated sugar: --
gravies: --
hard candy: -10.00000
imitation dairy: --
instant coffee / tea: --
jams / jellies: -10.00000
meat products: --
milk products: --
nut products: --
other grains: --
poultry: --
processed fruits: --
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: --
snack foods: --
soft candy: --
soups: --
sugar substitutes: --
sweet sauces: --

Safety references

European Food Safety Athority(EFSA):Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies...

European Food Safety Authority (EFSA) reference(s):

Flavouring Group Evaluation 64 (FGE.64): Consideration of aliphatic acyclic diols, triols, and related substances evaluated by JECFA (57th meeting) structurally related to aliphatic primary and secondary saturated and unsaturated alcohols, aldehydes, acetals, carboxylic acids and esters containing an additional oxygenated functional group and lactones from chemical groups 9, 13 and 30 evaluated by EFSA in FGE.10Rev1 (EFSA, 2008ab)
View page or View pdf

EPI System: View
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA Substance Registry Services (TSCA):61931-81-5
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :5364231
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:3
[(Z)-hex-3-enyl] 2-hydroxypropanoate
Chemidplus:0061931815