4-penten-1-yl acetate
4-pentenyl acetate
 
Notes:
Used as a food additive [EAFUS]
  • Penta International
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      Product(s):
      16-10900 4-PENTENYL ACETATE
       
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    • TCI AMERICA
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      Product(s):
      A1345 4-Pentenyl Acetate >98.0%(GC)
       
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CAS Number: 1576-85-8Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg: 216-413-6
FDA UNII: V4SIF0MABV
Nikkaji Web: J118.111D
Beilstein Number: 1747236
MDL: MFCD00008723
XlogP3-AA: 1.60 (est)
Molecular Weight: 128.17104000
Formula: C7 H12 O2
BioActivity Summary: listing
NMR Predictor: Predict (works with chrome or firefox)
Category: flavoring agents
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Google Scholar: Search
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Google Patents: Search
US Patents: Search
EU Patents: Search
Pubchem Patents: Search
PubMed: Search
NCBI: Search
JECFA Food Flavoring: 1270  4-pentenyl acetate
FLAVIS Number: 09.917 (Old)
DG SANTE Food Flavourings: 09.917  4-pentenyl acetate
FEMA Number: 4011  4-pentenyl acetate
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm: 4-PENTENYL ACETATE
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Physical Properties:
Appearance: colorless clear liquid (est)
Assay: 98.00 to 100.00 % 
Food Chemicals Codex Listed: No
Boiling Point: 144.00 to  146.00 °C. @ 760.00 mm Hg
Vapor Pressure: 4.960000 mm/Hg @ 25.00 °C. (est)
Flash Point: 113.00 °F. TCC ( 45.00 °C. )
logP (o/w): 1.892 (est)
Soluble in:
 alcohol
 propylene glycol
 water, 1233 mg/L @ 25 °C (est)
Insoluble in:
 water
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Organoleptic Properties:
 
Odor Type: green
 
Odor Strength: high ,
recommend smelling in a 1.00 % solution or less
 
Substantivity: < 1 hour(s) at 100.00 %
 
 green  plastic  weedy  acrylate  vegetable  metallic  cooked  meaty  sulfurous  
Odor Description:
at 1.00 % in dipropylene glycol. 
green plastic weedy acrylate vegetable metallic cooked meat sulfide
Luebke, William tgsc, (2006)
 
 
Flavor Type: green
 
 sweet  green  vegetable  weedy  plastic  grassy  hay  
Taste Description:
at 10.00 ppm in water.  
sweet green vegetable weedy plastic grassy hay
Luebke, William tgsc, (2006)
 
Odor and/or flavor descriptions from others (if found).
 
 
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Cosmetic Information:
None found
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Suppliers:
BOC Sciences
For experimental / research use only.
4-Penten-1-yl Acetate
Penta International
4-PENTENYL ACETATE
Santa Cruz Biotechnology
For experimental / research use only.
4-penten-1-yl acetate
TCI AMERICA
For experimental / research use only.
4-Pentenyl Acetate >98.0%(GC)
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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
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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: --
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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
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
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References:
 pent-4-enyl acetate
NIST Chemistry WebBook: Search Inchi
Pubchem (cid): 74096
Pubchem (sid): 135031329
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Other Information:
(IUPAC): Atomic Weights of the Elements 2009
(IUPAC): Atomic Weights of the Elements 2009 (pdf)
Videos: The Periodic Table of Videos
tgsc: Atomic Weights use for this web site
(IUPAC): Periodic Table of the Elements
FDA Everything Added to Food in the United States (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
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Potential Blenders and core components note
 
For Odor
aldehydic
 green hexanalFL/FR
 dibutyl sulfideFL/FR
 dipropyl disulfideFL/FR
balsamic
 spruce needle absoluteFL/FR
caramellic
2-isobutyl-3-methyl pyrazineFL/FR
chocolate
2,4,5-trimethyl thiazoleFL/FR
citrus
 methyl heptenoneFL/FR
 nonanal dimethyl acetalFL/FR
coumarinic
 phthalideFL/FR
earthy
scotch pine needle oilFL/FR
scotch pine needle oil estoniaFL/FR
scotch pine needle oil yugoslaviaFL/FR
ethereal
2-methyl valeraldehydeFL/FR
fatty
(E)-2-hepten-1-olFL/FR
5-methyl-5-hexen-2-oneFL/FR
floral
 cassie absoluteFL/FR
 cyclohexyl ethyl acetateFL/FR
(Z)-rose oxideFL/FR
 styralyl propionateFL/FR
fruity
2-nonanoneFL/FR
 tropical thiazoleFL/FR
green
 acetaldehyde butyl phenethyl acetalFL/FR
isobutyl methyl ketoneFL/FR
2-isobutyl thiazoleFL/FR
 cortex pyridineFL/FR
 galbanum decatrieneFL/FR
(Z)-4-heptenalFL/FR
(Z)-2-hexen-1-olFL/FR
(Z)-3-hexen-1-yl (E)-crotonateFL/FR
(Z)-3-hexen-1-yl tiglateFL/FR
4-hexenolFL/FR
(Z)-leaf acetalFL/FR
 methyl heptine carbonateFL/FR
 nerol oxideFL/FR
(Z,Z)-3,6-nonadien-1-olFL/FR
2-octen-1-olFL/FR
(Z)-2-penten-1-olFL/FR
1-penten-3-olFL/FR
3,5,5-trimethyl hexanolFL/FR
herbal
3-butylidene phthalideFL/FR
melon
(Z)-6-nonen-1-olFL/FR
minty
isopropyl tiglateFL/FR
musty
 cocoa butenalFL/FR
sulfurous
 grapefruit menthaneFL/FR
3-(methyl thio) hexanolFL/FR
vegetable
1-furfuryl pyrroleFL/FR
 mesityl oxideFL/FR
woody
alpha-farneseneFL/FR
alpha-farnesene isomerFL/FR
yeasty
2-octen-4-oneFL/FR
 
For Flavor
 
No flavor group found for these
2-ethyl-4,5-dimethyl oxazoleFL
(E)-2-hepten-1-olFL/FR
(Z)-3-hexen-1-yl (E)-crotonateFL/FR
(E)-4-hexenalFL
isomesityl oxideFL
2-methyl thiazoleFL
4-(methyl thio) butanolFL
scotch pine needle oilFL/FR
scotch pine needle oil estoniaFL/FR
scotch pine needle oil yugoslaviaFL/FR
2-isopropyl-3-(methyl thio) pyrazineFL
alliaceous
 allyl thiopropionateFL
 dipropyl disulfideFL/FR
3-tetrahydrothiophenoneFL
 tropical thiazoleFL/FR
balsamic
 spruce needle absoluteFL/FR
celery
3-butylidene phthalideFL/FR
cheesy
2-nonanoneFL/FR
citrus
 styralyl propionateFL/FR
coumarinic
 phthalideFL/FR
ethereal
5-methyl-5-hexen-2-oneFL/FR
fatty
2-octen-1-olFL/FR
fruity
2,4-hexadien-1-olFL
green
 acetaldehyde butyl phenethyl acetalFL/FR
isobutyl methyl ketoneFL/FR
2-isobutyl thiazoleFL/FR
2-isobutyl-3-methyl pyrazineFL/FR
 cocoa butenalFL/FR
 cortex pyridineFL/FR
 cyclohexyl ethyl acetateFL/FR
 dibutyl sulfideFL/FR
 dihydroxyacetophenone (mixed isomers)FL
alpha-farneseneFL/FR
alpha-farnesene isomerFL/FR
 galbanum decatrieneFL/FR
(Z)-4-heptenalFL/FR
(E)-2-heptenalFL
(Z)-2-hexen-1-olFL/FR
(Z)-3-hexen-1-yl tiglateFL/FR
2-hexyl pyridineFL
 horseradish oilFL
(Z)-leaf acetalFL/FR
 methyl heptenoneFL/FR
 methyl heptine carbonateFL/FR
4-methyl thiazoleFL
3-(5-methyl-2-furyl) butanalFL
 nerol oxideFL/FR
 nonanal dimethyl acetalFL/FR
2,4-octadienalFL
(Z)-2-penten-1-olFL/FR
1-penten-3-olFL/FR
2-propyl pyrazineFL
isopropyl tiglateFL/FR
 propylene glycol acetone ketalFL
(Z)-rose oxideFL/FR
3,5,5-trimethyl hexanolFL/FR
herbal
 green hexanalFL/FR
metallic
4-hexenolFL/FR
3-(methyl thio) hexanolFL/FR
nutty
3,5-diethyl-2-methyl pyrazineFL
2,4,5-trimethyl thiazoleFL/FR
potato
 mesityl oxideFL/FR
spicy
 cassie absoluteFL/FR
sulfurous
 grapefruit menthaneFL/FR
 methyl 2-methyl-3-furyl disulfideFL
 methyl benzyl disulfideFL
vegetable
alpha-benzylidene methionalFL
1-furfuryl pyrroleFL/FR
2-methyl valeraldehydeFL/FR
2-octen-4-oneFL/FR
waxy
(Z,Z)-3,6-nonadien-1-olFL/FR
(Z)-6-nonen-1-olFL/FR
 
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Potential Uses:
 cappuccinoFL
 caramelFL
 coffeeFL
 floralFR
 greenFL
 green grassFR
 green grassFR
 mangoFL
 vegetableFL
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Occurrence (nature, food, other): note
 mangaba
Search Trop  Picture
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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
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