(E)-2-hexen-1-yl formate
(E)-2-hexenyl formate
 
Notes:
Blends well with cinnamates. Flavouring ingredient
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      Product(s):
      53398-78-0 (E)-2-Hexen-1-ol formate
       
  • CSA
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CAS Number: 53398-78-0Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg: 258-512-7
FDA UNII: 9FKH3Z2E3A
Nikkaji Web: J118.130K
CoE Number: 11858
XlogP3-AA: 2.00 (est)
Molecular Weight: 128.17104000
Formula: C7 H12 O2
NMR Predictor: Predict (works with chrome or firefox)
EFSA/JECFA Comments: The chemical name should be changed to Hex-(2E)-enyl formate, in accordance with the CAS number and the specifcations provided (Documentation provided to EFSA nr: 1) 95% (2E)-isomer
Category: flavor and fragrance agents
 
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: 1376  (E)-2-hexenyl formate
DG SANTE Food Flavourings: 09.397  (E)-hex-2-enyl formate
FEMA Number: 3927 (E)-2-hexenyl formate
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF):53398-78-0 ; (E)-2-HEXENYL FORMATE
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Physical Properties:
Appearance: colorless clear liquid (est)
Assay: 94.00 to 100.00 % 
Food Chemicals Codex Listed: No
Specific Gravity: 0.91500 to 0.92500 @  25.00 °C.
Pounds per Gallon - (est).: 7.614 to  7.697
Refractive Index: 1.42000 to 1.42400 @  20.00 °C.
Boiling Point: 42.00 °C. @ 1.00 mm Hg
Boiling Point: 75.00 °C. @ 40.00 mm Hg
Vapor Pressure: 1.971000 mmHg @ 25.00 °C. (est)
Flash Point: 110.00 °F. TCC ( 43.33 °C. )
logP (o/w): 2.128 (est)
Soluble in:
 alcohol
 water, 1607 mg/L @ 25 °C (est)
Insoluble in:
 water
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allyl formate
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butyl formate
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sec-butyl formate
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cedryl formate
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citronellyl formate
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ethyl formate
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S-furfuryl thioformate
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(E)-3-hexen-1-yl formate
3-hexen-1-yl formate
(Z)-3-hexen-1-yl formate
hexyl formate
linalyl formate
menthadienyl formate
menthyl formate
laevo-menthyl formate
2-methyl butyl formate
methyl formate
myrtenyl formate
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nonisyl formate
nonyl formate
nopyl formate
octyl formate
3-octyl formate
phenethyl formate
2-phenoxyethyl formate
3-phenyl propyl formate
prenyl formate
propyl formate
isopropyl formate
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rhodinyl formate
styralyl formate
sulfuryl formate
terpinyl formate
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Organoleptic Properties:
 
Odor Type: green
 
 fruity  green  rummy  
Odor Description:
at 10.00 % in dipropylene glycol. 
fruity green rum
 
 
Flavor Type: rummy
 
 rummy  
Taste Description:
rum
 
Odor and/or flavor descriptions from others (if found).
 
Bedoukian Research
trans-2-HEXENYL FORMATE ≥93.0%, Kosher
Odor Description: Slightly fruity, diffusive, rum-like odor with a green finish
Blends well with cinnamates and can be used as a sweet topnote for herbaceous fragrances.
Taste Description: rum
Finds use in honey, butterscotch, butter rum and ripe banana
 
 
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Cosmetic Information:
None found
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Suppliers:
BOC Sciences
For experimental / research use only.
(E)-2-Hexen-1-ol formate
Parchem
(E)-2-hexen-1-yl formate
Chemical Sources Association
Need This Item for Flavor/Food?: You can contact the CSA
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Safety Information:
European information :
Most important hazard(s):
Xi - Irritant
R 10 - Flammable.
R 38 - Irritating to skin.
S 02 - Keep out of the reach of children.
S 16 - Keep away from sources of ignition - No Smoking.
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
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Safety in Use Information:
Category: flavor and fragrance agents
IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice
Recommendation for (E)-2-hexen-1-yl formate usage levels up to:
  5.0000 % in the fragrance concentrate.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.012 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA): 7.00 (μg/capita/day)
Modified Theoretical Added Maximum Daily Intake (mTAMDI): 1700 (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: 19
Click here to view publication 19
 average usual ppmaverage maximum ppm
baked goods: 7.0000011.00000
beverages(nonalcoholic): 2.500004.00000
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: 0.500001.00000
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: 4.000007.00000
fruit ices: --
gelatins / puddings: 5.000007.00000
granulated sugar: --
gravies: --
hard candy: 8.000009.00000
imitation dairy: --
instant coffee / tea: --
jams / jellies: 0.500001.00000
meat products: --
milk products: --
nut products: --
other grains: --
poultry: --
processed fruits: --
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: --
snack foods: --
soft candy: 6.000009.00000
soups: --
sugar substitutes: --
sweet sauces: --
 
Food categories according to Commission Regulation EC No. 1565/2000 (EC, 2000) in FGE.06 (EFSA, 2002a). According to the Industry the "normal" use is defined as the average of reported usages and "maximum use" is defined as the 95th percentile of reported usages (EFSA, 2002i).
Note: mg/kg = 0.001/1000 = 0.000001 = 1/1000000 = ppm.
 average usage mg/kgmaximum usage mg/kg
Dairy products, excluding products of category 02.0 (01.0): 5.7000012.00000
Fats and oils, and fat emulsions (type water-in-oil) (02.0): 1.5000014.25000
Edible ices, including sherbet and sorbet (03.0): --
Processed fruit (04.1): --
Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2): 5.000005.03000
Confectionery (05.0): 5.5000014.46000
Chewing gum (05.0): 6.0200020.87000
Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0): 4.8000011.55000
Bakery wares (07.0): 5.0000017.00000
Meat and meat products, including poultry and game (08.0): 0.900002.98000
Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0): --
Eggs and egg products (10.0): --
Sweeteners, including honey (11.0): --
Salts, spices, soups, sauces, salads, protein products, etc. (12.0): 2.000005.00000
Foodstuffs intended for particular nutritional uses (13.0): --
Non-alcoholic ("soft") beverages, excl. dairy products (14.1): 2.000004.43000
Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2): 1.000002.00000
Ready-to-eat savouries (15.0): 2.500004.50000
Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0): --
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Safety References:
Flavor & Extract Manufacturers Association (FEMA) reference(s):
The FEMA GRAS assessment of alpha,beta-unsaturated aldehydes and related substances used as flavor ingredients. View pdf
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):
EFSA Panel on Food Contact Materials, Enzymes, Flavourings and Processing Aids (CEF)
View page or View pdf
Scientific Opinion on Flavouring Group Evaluation 200, Revision 1 (FGE.200 Rev.1): 74 a,ß-unsaturated aliphatic aldehydes and precursors from chemical subgroup 1.1.1 of FGE.19
View page or View pdf
Scientific Opinion on Flavouring Group Evaluation 71 Revision 1 (FGE.71Rev1): consideration of aliphatic, linear, a,ß-unsaturated alcohols, aldehydes, carboxylic acids, and related esters evaluated by JECFA (63rd and 69th meeting) structurally related to flavouring substances evaluated in FGE.05Rev3
View page or View pdf
EPI System: View
AIDS Citations: Search
Cancer Citations: Search
Toxicology Citations: Search
EPA Substance Registry Services (TSCA): 53398-78-0
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 5352972
National Institute of Allergy and Infectious Diseases: Data
WISER: UN 1993
WGK Germany: 2
 [(E)-hex-2-enyl] formate
Chemidplus: 0053398780
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References:
 [(E)-hex-2-enyl] formate
NIST Chemistry WebBook: Search Inchi
Pubchem (cid): 5352972
Pubchem (sid): 135061333
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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): HMDB38271
FooDB: FDB017569
Export Tariff Code: 2915.13.0000
VCF-Online: VCF Volatile Compounds in Food
ChemSpider: View
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Potential Blenders and core components note
 
For Odor
alcoholic
alcoholic
3-hexanolFL/FR
balsamic
isoamyl benzoateFL/FR
isoamyl pyruvateFL/FR
burnt
 rum etherFL/FR
buttery
2,3-heptane dioneFL/FR
chemical
isobutyl formateFL/FR
citrus
2-heptanolFL/FR
cocoa
2-methyl butyraldehydeFL/FR
ethereal
 butyl acetateFL/FR
 cyclohexyl formateFL/FR
 decyl propionateFL/FR
 ethyl acetateFL/FR
 ethyl nitrite 
 ethyl pyruvateFL/FR
1-hexen-3-olFL/FR
 methyl acetateFL/FR
(E)-methyl tiglateFL/FR
2-methyl valeraldehydeFL/FR
isopropyl acetateFL/FR
 propyl formateFL/FR
fatty
 methyl (E)-2-hexenoateFL/FR
fermented
 ethyl crotonateFL/FR
floral
 benzyl acetoacetateFL/FR
 boronia absoluteFL/FR
 ethyl hydrocinnamateFL/FR
 geranyl acetateFL/FR
fruity
 acetoin acetateFL/FR
 allyl amyl glycolateFR
 allyl butyrateFL/FR
 allyl isovalerateFL/FR
 allyl salicylateFR
isoamyl acetateFL/FR
isoamyl butyrateFL/FR
 amyl butyrateFL/FR
isoamyl isovalerateFL/FR
isoamyl nonanoateFL/FR
isoamyl octanoateFL/FR
isoamyl propionateFL/FR
 butyl butyrateFL/FR
 butyl isobutyrateFL/FR
isobutyl propionateFL/FR
 cherry pentenoateFL/FR
 cyclohexanone diethyl acetalFL/FR
 cyclohexyl isovalerateFL/FR
 cyclohexyl propionateFL/FR
2-cyclopentyl cyclopentanoneFL/FR
 diethyl malonateFL/FR
 dimethyl succinateFL/FR
 ethyl (E)-3-hexenoateFL/FR
 ethyl 2-cyclohexyl propionateFR
 ethyl 2-hexenoateFL/FR
 ethyl 2-octenoateFL/FR
 ethyl 3-acetoxyhexanoateFL/FR
 ethyl 3,5,5-trimethyl hexanoateFR
 ethyl acetoacetateFL/FR
2-ethyl butyl acetateFL/FR
 ethyl heptanoateFL/FR
 ethyl isobutyrateFL/FR
 ethyl propionateFL/FR
 fruity carboxylateFR
 furfuryl acetateFL/FR
 heptanal cyclic ethylene acetalFR
3-hexanoneFL/FR
2-hexen-1-olFL/FR
(E)-3-hexen-1-yl acetateFL/FR
(Z)-3-hexen-1-yl isobutyrateFL/FR
 hexyl (E)-tiglateFL/FR
 hexyl acetateFL/FR
2-hexyl butyrate 
 methyl 3-nonenoateFL/FR
 methyl 4-methyl valerateFL/FR
 methyl heptanoateFL/FR
 methyl propionateFL/FR
 nerolidyl isobutyrateFR
 octen-1-yl cyclopentanoneFL/FR
2-pentyl butyrateFL/FR
2-pentyl furanFL/FR
2-phenyl propyl butyrateFL/FR
 pineapple pentenoateFL/FR
 prenyl acetateFL/FR
 prenyl formateFL/FR
 prenyl hexanoateFL/FR
isopropyl 2-methyl butyrateFL/FR
isopropyl octanoateFL/FR
 rhubarb undecaneFR
 styryl acetateFL/FR
 tetrahydrofurfuryl acetateFL/FR
 tetrahydrofurfuryl butyrateFL/FR
 tropical indeneFR
 tropical thiazoleFL/FR
green
alpha-decalactoneFL/FR
 heptyl acetateFL/FR
(E)-2-hexen-1-yl hexanoateFL/FR
(Z)-3-hexen-1-yl hexanoateFL/FR
(E)-2-hexen-1-yl phenyl acetateFL/FR
3-hexenyl acetateFL/FR
 hexyl octanoateFL/FR
 manzanate (Givaudan)FL/FR
 methyl R-3-acetoxyhexanoate 
 phenoxyethyl isobutyrateFL/FR
 propylene acetalFL/FR
 violet dienyneFR
herbal
2-pentyl acetateFL/FR
honey
 allyl phenyl acetateFL/FR
rummy
 rum extractFL/FR
sulfurous
 ethyl methyl mercaptopropionateFL/FR
tonka
 saffron resinoidFL/FR
tropical
beta-cyclocitralFL/FR
waxy
isoamyl decanoateFL/FR
(E,E)-2,4-dodecadien-1-ol 
 ethyl nonanoateFL/FR
 octyl 2-methyl butyrateFL/FR
 verdoxanFR
 
For Flavor
 
No flavor group found for these
isoamyl pyruvateFL/FR
 butter nut rum flavorFL
sec-butyl acetateFL
 cyclohexanone diethyl acetalFL/FR
2-cyclopentyl cyclopentanoneFL/FR
alpha-decalactoneFL/FR
 decyl propionateFL/FR
 diethyl maleateFL
(E,E)-2,4-dodecadien-1-ol 
 ethyl 2-hexenoateFL/FR
 ethyl 3-acetoxyhexanoateFL/FR
 ethyl hydrocinnamateFL/FR
 ethyl nitrite 
(E)-2-hexen-1-yl phenyl acetateFL/FR
2-hexenalFL
2-hexenal diethyl acetalFL
3-hexenyl acetateFL/FR
 hexyl (E)-2-hexenoateFL
2-hexyl butyrate 
 methyl (E)-2-hexenoateFL/FR
(E)-methyl tiglateFL/FR
2-methyl-2-octenalFL
(E)-2-methyl-2-octenalFL
3-methyl-3-pentanolFL
(E,E)-3,5-octadien-2-oneFL
 prenyl formateFL/FR
 prenyl hexanoateFL/FR
 propylene acetalFL/FR
 styryl acetateFL/FR
 benzyl acetoacetateFL/FR
alcoholic
3-hexanolFL/FR
alliaceous
 tropical thiazoleFL/FR
brown
 tetrahydrofurfuryl acetateFL/FR
burnt
 rum etherFL/FR
buttery
2,3-heptane dioneFL/FR
caramellic
 butter rum toffee flavorFL
cooling
 manzanate (Givaudan)FL/FR
dairy
2-pentyl acetateFL/FR
earthy
1-hexen-3-yl acetateFL
estery
 ethyl acetoacetateFL/FR
 furfuryl acetateFL/FR
ethereal
 butyl acetateFL/FR
 ethyl acetateFL/FR
 ethyl isobutyrateFL/FR
 methyl acetateFL/FR
isopropyl acetateFL/FR
fruity
 acetoin acetateFL/FR
 allyl isovalerateFL/FR
isoamyl acetateFL/FR
isoamyl benzoateFL/FR
 amyl butyrateFL/FR
isoamyl octanoateFL/FR
isoamyl propionateFL/FR
 boronia absoluteFL/FR
 butyl butyrateFL/FR
 butyl isobutyrateFL/FR
isobutyl propionateFL/FR
 cherry pentenoateFL/FR
 cyclohexyl isovalerateFL/FR
 cyclohexyl propionateFL/FR
 diethyl malonateFL/FR
 dimethyl succinateFL/FR
 ethyl (E)-2-octenoateFL
 ethyl (E)-3-hexenoateFL/FR
 ethyl 2-octenoateFL/FR
2-ethyl butyl acetateFL/FR
 ethyl heptanoateFL/FR
 ethyl propionateFL/FR
 furfuryl propionateFL
2-heptanolFL/FR
3-hexanoneFL/FR
2-hexen-1-olFL/FR
(E)-3-hexen-1-yl acetateFL/FR
(Z)-3-hexen-1-yl isobutyrateFL/FR
 hexyl acetateFL/FR
 methyl (E)-3-nonenoateFL
 methyl 3-nonenoateFL/FR
 methyl 4-methyl valerateFL/FR
 methyl heptanoateFL/FR
 methyl propionateFL/FR
 octen-1-yl cyclopentanoneFL/FR
2-pentyl butyrateFL/FR
 pineapple pentenoateFL/FR
 prenyl acetateFL/FR
isopropyl 2-methyl butyrateFL/FR
 propyl formateFL/FR
isopropyl octanoateFL/FR
 tetrahydrofurfuryl butyrateFL/FR
fusel
2-methyl butyraldehydeFL/FR
green
 allyl butyrateFL/FR
isoamyl isovalerateFL/FR
 cyclohexyl formateFL/FR
 geranyl acetateFL/FR
 heptyl acetateFL/FR
(E)-2-hexen-1-yl hexanoateFL/FR
(Z)-3-hexen-1-yl hexanoateFL/FR
1-hexen-3-olFL/FR
(E)-2-hexenal diethyl acetalFL
 hexyl (E)-tiglateFL/FR
 hexyl octanoateFL/FR
 methyl 2-undecynoateFL
 methyl R-3-acetoxyhexanoate 
2-pentyl furanFL/FR
 phenoxyethyl isobutyrateFL/FR
honey
 allyl phenyl acetateFL/FR
oily
 tetrahydrofurfuryl propionateFL
rummy
isobutyl formateFL/FR
 ethyl crotonateFL/FR
 ethyl pyruvateFL/FR
 rumFL
 rum extractFL/FR
jamaican rum flavorFL
 rum flavorFL
spicy
spiced butter rum flavorFL
 cinnamon nut butter rum flavorFL
2-phenyl propyl butyrateFL/FR
sulfurous
 ethyl methyl mercaptopropionateFL/FR
sweet
 saffron resinoidFL/FR
tropical
beta-cyclocitralFL/FR
vegetable
2-methyl valeraldehydeFL/FR
waxy
isoamyl butyrateFL/FR
isoamyl decanoateFL/FR
 ethyl nonanoateFL/FR
 octyl 2-methyl butyrateFL/FR
winey
isoamyl nonanoateFL/FR
woody
 quercus alba chips extractFL
 
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Potential Uses:
 bananaFR
 butter rumFL
 butterscotchFR
 fruitFR
 herbalFR
 honeyFR
 spiceFR
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Occurrence (nature, food, other): note
 tea black tea
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Synonyms:
(2E)-hex-2-en-1-yl formate
(E)-hex-2-enyl formate
[(E)-hex-2-enyl] formate
2-hexen-1-ol, formate, (2E)-
2-hexen-1-yl formate
trans-2-hexen-1-yl formate
(E)-2-hexenyl formate
(Z)-2-hexenyl formate
trans-2-hexenyl formate
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