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4-penten-1-yl acetate

Chemical Structure

General Material Information

Preferred name 4-penten-1-yl acetate
Trivial Name 4-Penten-1-yl acetate
Short Description 4-pentenyl acetate
Formula C7 H12 O2
CAS Number 1576-85-8
FEMA Number 4011
Flavis Number 9.917
ECHA Number 216-413-6
FDA UNII V4SIF0MABV
Nikkaji Number J118.111D
Beilstein Number 1747236
MDL MFCD00008723
xLogP3-AA 1.60 (est)
Bio Activity Summary External link
NMR Predictor External link
JECFA Food Flavoring 1270 4-pentenyl acetate
FDA Patent No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm 1576-85-8 ; 4-PENTENYL ACETATE
Synonyms
  • acetic acid pent-4-en-1-yl ester
  • 5-acetoxy-1-pentene
  • 1-acetoxy-4-pentene
  • pent-4-ene-1-yl acetate
  • pent-4-enyl acetate
  • 4-penten-1-ol acetate
  • 4-penten-1-ol, acetate
  • 4-pentenyl acetate
  • 4-Penten-1-ol, 1-acetate
  • 4-Penten-1-ol, acetate
  • 4-Pentenyl acetate
  • 1-Acetoxy-4-pentene
  • 5-Acetoxy-1-pentene
  • NSC 102504
  • Acetic acid 4-pentenyl ester

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
CHEBI:View
HMDB (The Human Metabolome Database):HMDB32460
FooDB:FDB010037
Export Tariff Code:2915.39.4550
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 128.1710357666
Boiling Point 144 to 146°C @ 760 mm Hg
Vapor Pressure 4.96 mmHg @ 25 °C
Flash Point TCC Value 45 °C TCC
logP (o/w) 1.892 est
Solubility
alcohol Yes
propylene glycol Yes
water, 1233 mg/L @ 25 °C (est) Yes
water No

Organoleptic Properties

Odor Type: Green
green, plastic, weedy, acrylate, vegetable, metallic, cooked, meaty, sulfurous
Odor strength high , recommend smelling in a 1.00 % solution or less
Substantivity < 1 hour(s) at 100.00 %
Luebke, William tgsc, (2006) At 1.00 % in dipropylene glycol. green plastic weedy acrylate vegetable metallic cooked meat sulfide
Flavor Type: Green
sweet, green, vegetable, weedy, plastic, grassy, hay
Luebke, William tgsc, (2006) At 10.00 ppm in water. sweet green vegetable weedy plastic grassy hay

Occurrences

Potential Uses

Applications
Odor purposes Floral, Green grass, Green grass
Flavoring purposes Cappuccino, Caramel, Coffee, Green, Mango, Vegetable

Safety Information

Safety information

Preferred SDS: View
European information :
Most important hazard(s):
Xn N - Harmful, Dangerous for the environment.
R 10 - Flammable.
R 22 - Harmful if swallowed.
R 41 - Risk of serious damage to eyes.
R 50 - Very toxic to aquatic organisms.
S 02 - Keep out of the reach of children.
S 16 - Keep away from sources of ignition - No Smoking.
S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S 39 - Wear eye/face protection.
S 61 - Avoid release to the environment. Refer to special instructions/safety data sheet.
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 4-penten-1-yl acetate usage levels up to:
not for fragrance use.
Maximised Survey-derived Daily Intakes (MSDI-EU): 3.40 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA): 4.00 (μg/capita/day)
Modified Theoretical Added Maximum Daily Intake (mTAMDI): ND (μg/person/day)
Threshold of Concern:1800 (μg/person/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: 20
Click here to view publication 20
average usual ppmaverage maximum ppm
baked goods: 20.0000040.00000
beverages(nonalcoholic): 8.0000016.00000
beverages(alcoholic): 8.0000016.00000
breakfast cereal: --
cheese: --
chewing gum: 100.00000200.00000
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: 16.0000032.00000
fruit ices: --
gelatins / puddings: --
granulated sugar: --
gravies: --
hard candy: 20.0000050.00000
imitation dairy: --
instant coffee / tea: --
jams / jellies: --
meat products: --
milk products: 10.0000020.00000
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 62 (FGE.62) Consideration of linear and branched-chain aliphatic unsaturated, unconjugated alcohols, aldehydes, acids, and related esters evaluated by JECFA (61st meeting) structurally related to esters of branched- and straight-chain aliphatic saturated primary alcohols and of one secondary alcohol, and branched- and straight-chain unsaturated carboxylic acids evaluated by EFSA in FGE.05 (2005) and to straight- and branched-chain aliphatic unsaturated primary alcohols, aldehydes, carboxylic acids, and esters evaluated by EFSA in FGE.06 (2004) (Commission Regulation (EC) No 1565/2000 of 18 July 2000)
View page or View pdf

Flavouring Group Evaluation 62 Rev1 (FGE.62 Rev1): Consideration of of linear and branched-chain aliphatic unsaturated, unconjugated alcohols, aldehydes, acids, and related esters evaluated by JECFA (61st and 68th meeting) structurally related to branched- and straight-chain unsaturated carboxylic acids and esters of these with aliphatic saturated alcohols evaluated by EFSA in FGE.05Rev2 (2010) and to straight- and branched-chain aliphatic unsaturated primary alcohols, aldehydes, carboxylic acids, and esters evaluated by EFSA in FGE.06Rev1 (2008)
View page or View pdf

EPI System: View
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :74096
National Institute of Allergy and Infectious Diseases:Data
WISER:UN 3272
WGK Germany:3
pent-4-enyl acetate
Chemidplus:0001576858