EU/US Properties Organoleptics Cosmetics Suppliers Safety Safety in use Safety references References Other Blenders Uses Occurrence Synonyms Articles Notes
 

hexyl formate
formic acid, hexyl ester

Sponsors

Name:hexyl formate
CAS Number: 629-33-4Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:211-087-1
FDA UNII:9GPU7PGV1G
Nikkaji Web:J94.883G
Beilstein Number:1701629
MDL:MFCD00046146
CoE Number:499
XlogP3-AA:2.50 (est)
Molecular Weight:130.18698000
Formula:C7 H14 O2
NMR Predictor:Predict (works with chrome or firefox)
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:120 hexyl formate
FLAVIS Number:09.161 (Old)
DG SANTE Food Flavourings:09.161 hexyl formate
FEMA Number:2570 hexyl formate
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm: HEXYL FORMATE
FDA Regulation:
FDA PART 172 -- FOOD ADDITIVES PERMITTED FOR DIRECT ADDITION TO FOOD FOR HUMAN CONSUMPTION
Subpart F--Flavoring Agents and Related Substances
Sec. 172.515 Synthetic flavoring substances and adjuvants.
 
Physical Properties:
Appearance:colorless clear liquid (est)
Assay: 97.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:0.87800 to 0.88200 @ 25.00 °C.
Pounds per Gallon - (est).: 7.306 to 7.339
Refractive Index:1.40500 to 1.40900 @ 20.00 °C.
Melting Point: -63.00 °C. @ 760.00 mm Hg
Boiling Point: 155.00 to 156.00 °C. @ 760.00 mm Hg
Vapor Pressure:2.969000 mm/Hg @ 25.00 °C. (est)
Flash Point: 118.00 °F. TCC ( 47.78 °C. )
logP (o/w): 2.415 (est)
Soluble in:
 alcohol
 water, very slightly
 water, 1034 mg/L @ 25 °C (est)
Insoluble in:
 water
Similar Items:note
allyl formate
amyl formate
isoamyl formate
para-anisyl formate
benzyl formate
bornyl formate
isobornyl formate
butyl formate
isobutyl formate
sec-butyl formate
carvyl formate
cedryl formate
cinnamyl formate
citronellyl formate
para-cresyl formate
cyclododecyl formate
cyclohexyl formate
2-decalinyl formate
decyl formate
dimethyl benzyl carbinyl formate
ethyl formate
eugenyl formate
isoeugenyl formate
furfuryl formate
S-furfuryl thioformate
geranyl formate
heptyl formate
(E)-2-hexen-1-yl formate
(E)-3-hexen-1-yl formate
3-hexen-1-yl formate
(Z)-3-hexen-1-yl formate
linalyl formate
menthadienyl formate
menthyl formate
laevo-menthyl formate
2-methyl butyl formate
methyl formate
myrtenyl formate
neryl formate
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
isopulegyl formate
rhodinyl formate
styralyl formate
sulfuryl formate
terpinyl formate
 
Organoleptic Properties:
Odor Type: fruity
Odor Strength:medium ,
recommend smelling in a 10.00 % solution or less
Substantivity:4 hour(s) at 100.00 %
apple plum banana sweet
Odor Description:at 10.00 % in dipropylene glycol. apple unripe plum banana sweet
Luebke, William tgsc, (1989)
Odor sample from: J. Manheimer, Inc.
Flavor Type: green
ethereal green banana unripe banana nasturtium plum skin
Taste Description: ethereal green unripe banana nasturtium plum skin
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
CosIng:cosmetic data
Cosmetic Uses: perfuming agents
 
Suppliers:
ECSA Chemicals
Hexyl Formate
Company Profile
Grau Aromatics
HEXYL-FORMATE
NI, Kosher
Inoue Perfumery
HEXYL FORMATE
Lluch Essence
HEXYL FORMATE
Penta International
HEXYL FORMATE, Kosher
Sigma-Aldrich
Hexyl formate, ≥97%, FG
Odor: green; ethereal; fruity
Certified Food Grade Products
SRS Aromatics
HEXYL FORMATE
Synerzine
Hexyl Formate
TCI AMERICA
For experimental / research use only.
Hexyl Formate >98.0%(GC)
Vigon International
Hexyl Formate
Odor: STRONG, DIFFUSIVE, ETHEREAL-FRUITY
 
Safety Information:
Preferred SDS: View
European information :
Most important hazard(s):
Xi - Irritant
R 10 - Flammable.
R 36/38 - Irritating to skin and eyes.
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 37/39 - Wear suitable 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:
oral-rat LD50 > 5000 mg/kg
Food and Chemical Toxicology. Vol. 26, Pg. 351, 1988.

Dermal Toxicity:
skin-rabbit LD50 > 5000 mg/kg
Food and Chemical Toxicology. Vol. 26, Pg. 351, 1988.

Inhalation Toxicity:
Not determined
 
Safety in Use Information:
Category: flavor and fragrance agents
Recommendation for hexyl formate usage levels up to:
  4.0000 % in the fragrance concentrate.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 8.70 (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: 3
 average usual ppmaverage maximum ppm
baked goods: -52.00000
beverages(nonalcoholic): -12.00000
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: -45.00000
fruit ices: -45.00000
gelatins / puddings: --
granulated sugar: --
gravies: --
hard candy: -39.00000
imitation dairy: --
instant coffee / tea: --
jams / jellies: --
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 2, Revision 1 (FGE.02) : Branched- and straight-chain aliphatic saturated primary alcohols and related esters of primary alcohols and straight-chain carboxylic acids and one straight-chain aldehyde from chemical groups 1 and 2 (Commission Regulation (EC) No 1565/2000 of 18 July 2000) - Opinion of the Scientific Panel on Food Additives, Flavourings, Processing Aids and Materials in contact with Food (AFC)
View page or View pdf

EPI System: View
EPA Substance Registry Services (TSCA):629-33-4
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :61177
National Institute of Allergy and Infectious Diseases:Data
WISER:UN 3272
WGK Germany:2
hexyl formate
Chemidplus:0000629334
RTECS:LQ8595000 for cas# 629-33-4
 
References:
 hexyl formate
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:629-33-4
Pubchem (cid):61177
Pubchem (sid):135018315
Pherobase:View
 
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
CHEMBL:View
HMDB (The Human Metabolome Database):HMDB32874
FooDB:FDB010854
Export Tariff Code:2915.13.0000
Typical G.C.
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
 
Potential Blenders and core components note
For Odor
animal
iso
butyl quinoline
FR
balsamic
ethyl cinnamate
FL/FR
guaiyl butyrate
FR
earthy
methyl 3-hexenoate
FL/FR
ethereal
butyl acetate
FL/FR
cyclohexyl formate
FL/FR
methyl acetate
FL/FR
iso
propyl acetate
FL/FR
propyl formate
FL/FR
fatty
allyl octanoate
FL/FR
methyl (E)-2-hexenoate
FL/FR
(E)-2-
octenal
FL/FR
floral
para-
anisyl butyrate
FL/FR
citronellyl formate
FL/FR
beta-
damascenone
FL/FR
dimethyl benzyl carbinyl butyrate
FL/FR
2,4-
dimethyl-3-cyclohexene-1-methanol
FR
linalyl butyrate
FL/FR
neryl formate
FL/FR
petitgrain mandarin oil
FL/FR
phenethyl hexanoate
FL/FR
1-
phenyl propyl butyrate
FL/FR
iso
phytol
FL/FR
pomarose
FR
propyl salicylate
FR
violet methyl carbonate
FR
fruity
allyl heptanoate
FL/FR
allyl isovalerate
FL/FR
allyl salicylate
FR
amyl acetate
FL/FR
iso
amyl acetate
FL/FR
amyl butyrate
FL/FR
iso
amyl butyrate
FL/FR
amyl heptanoate
FL/FR
iso
amyl hexanoate
FL/FR
amyl isobutyrate
FL/FR
iso
amyl isobutyrate
FL/FR
iso
amyl propionate
FL/FR
apple crotonate
FR
apricot isobutyrate
FR
benzyl propionate
FL/FR
3-
benzyl-4-heptanone
FL/FR
iso
butyl 2-butenoate
FL/FR
iso
butyl acetate
FL/FR
butyl anthranilate
FL/FR
butyl formate
FL/FR
butyl isobutyrate
FL/FR
iso
butyl propionate
FL/FR
cyclohexyl isovalerate
FL/FR
cyclohexyl propionate
FL/FR
(Z)-beta-
damascone
FL/FR
(E)-beta-
damascone
FL/FR
beta-
damascone
FL/FR
alpha,alpha-
dimethyl benzyl isobutyrate
FL/FR
ethyl 4-phenyl butyrate
FL/FR
2-
ethyl butyl acetate
FL/FR
ethyl hexanoate
FL/FR
furfuryl acetate
FL/FR
heptyl isobutyrate
FL/FR
(E)-2-
hexen-1-ol
FL/FR
(E)-3-
hexen-1-yl acetate
FL/FR
hexyl acetate
FL/FR
methyl 4-methyl valerate
FL/FR
2-
methyl butyl acetate
FL/FR
methyl butyrate
FL/FR
methyl isobutyrate
FL/FR
2-
pentanone
FL/FR
3-
phenyl propyl isovalerate
FL/FR
pineapple pentenoate
FL/FR
plum crotonate
FR
prenyl acetate
FL/FR
iso
propyl octanoate
FL/FR
iso
propyl propionate
FL/FR
4-(para-
tolyl)-2-butanone
FL/FR
green
iso
amyl formate
FL/FR
cognac heptanone
FL/FR
1-
heptanol
FL/FR
(Z)-3-
hepten-1-yl acetate
FL/FR
heptyl formate
FL/FR
(Z)-3-
hexen-1-yl acetate
FL/FR
(E)-2-
hexen-1-yl butyrate
FL/FR
(E)-2-
hexen-1-yl isovalerate
FL/FR
(E)-2-
hexen-1-yl valerate
FL/FR
(Z)-3-
hexen-1-yl valerate
FL/FR
(E)-2-
hexenal
FL/FR
hexyl hexanoate
FL/FR
(Z)-5-
octen-1-yl propionate
FL/FR
herbal
6-
acetoxydihydrotheaspirane
FL/FR
alpha-
amyl cinnamyl formate
FL/FR
iso
amyl heptanoate
FL/FR
sweet
basil absolute
FL/FR
(+)-alpha-
campholenic aldehyde
FL/FR
dimethyl benzyl carbinyl formate
FL/FR
herbal heptane
FR
hop absolute
FL/FR
hop oil
FL/FR
linalyl octanoate
FL/FR
theaspirane
FL/FR
tricyclodecyl acetate
FR
wormwood oil america
FL/FR
pine
dipentene terpene hydrocarbon byproducts
FR
powdery
para-
anisyl acetate
FL/FR
spicy
iso
butyl angelate
FL/FR
(-)-
cubenol
FL/FR
iso
cyclogeraniol (IFF)
FR
waxy
ethyl octanoate
FL/FR
For Flavor
No flavor group found for these
6-
acetoxydihydrotheaspirane
FL/FR
alpha-
amyl cinnamyl formate
FL/FR
amyl isobutyrate
FL/FR
butyl formate
FL/FR
diethyl maleate
FL
dimethyl benzyl carbinyl formate
FL/FR
ethyl 4-phenyl butyrate
FL/FR
(Z)-3-
hepten-1-yl acetate
FL/FR
2-
hexenal
FL
methyl (E)-2-hexenoate
FL/FR
1-
phenyl propyl butyrate
FL/FR
3-
phenyl propyl isovalerate
FL/FR
beta-
damascone
FL/FR
anisic
anisic
para-
anisyl butyrate
FL/FR
balsamic
ethyl cinnamate
FL/FR
berry
heptyl isobutyrate
FL/FR
citrus
cognac heptanone
FL/FR
petitgrain mandarin oil
FL/FR
cooling
theaspirane
FL/FR
estery
furfuryl acetate
FL/FR
ethereal
butyl acetate
FL/FR
methyl acetate
FL/FR
methyl isobutyrate
FL/FR
iso
propyl acetate
FL/FR
fatty
allyl octanoate
FL/FR
heptyl formate
FL/FR
(E)-2-
octenal
FL/FR
floral
dimethyl benzyl carbinyl butyrate
FL/FR
linalyl butyrate
FL/FR
fruity
allyl heptanoate
FL/FR
allyl isovalerate
FL/FR
iso
amyl acetate
FL/FR
amyl acetate
FL/FR
amyl butyrate
FL/FR
amyl heptanoate
FL/FR
iso
amyl hexanoate
FL/FR
iso
amyl isobutyrate
FL/FR
iso
amyl propionate
FL/FR
para-
anisyl acetate
FL/FR
benzyl propionate
FL/FR
3-
benzyl-4-heptanone
FL/FR
iso
butyl acetate
FL/FR
butyl anthranilate
FL/FR
butyl isobutyrate
FL/FR
iso
butyl propionate
FL/FR
citronellyl formate
FL/FR
cyclohexyl isovalerate
FL/FR
cyclohexyl propionate
FL/FR
(Z)-beta-
damascone
FL/FR
(E)-beta-
damascone
FL/FR
alpha,alpha-
dimethyl benzyl isobutyrate
FL/FR
2-
ethyl butyl acetate
FL/FR
ethyl hexanoate
FL/FR
furfuryl propionate
FL
(E)-3-
hexen-1-yl acetate
FL/FR
hexyl acetate
FL/FR
hexyl hexanoate
FL/FR
linalyl octanoate
FL/FR
methyl 3-hexenoate
FL/FR
methyl 4-methyl valerate
FL/FR
2-
methyl butyl acetate
FL/FR
methyl formate
FL
neryl formate
FL/FR
2-
pentanone
FL/FR
pineapple pentenoate
FL/FR
prenyl acetate
FL/FR
propyl formate
FL/FR
iso
propyl octanoate
FL/FR
iso
propyl propionate
FL/FR
4-(para-
tolyl)-2-butanone
FL/FR
fusel
methyl butyrate
FL/FR
green
iso
amyl formate
FL/FR
iso
butyl 2-butenoate
FL/FR
iso
butyl angelate
FL/FR
(+)-alpha-
campholenic aldehyde
FL/FR
cyclohexyl formate
FL/FR
2,5-
dimethyl-4-ethyl oxazole
FL
(E)-2-
hexen-1-ol
FL/FR
(Z)-3-
hexen-1-yl acetate
FL/FR
(E)-2-
hexen-1-yl butyrate
FL/FR
(E)-2-
hexen-1-yl isovalerate
FL/FR
(E)-2-
hexen-1-yl valerate
FL/FR
(Z)-3-
hexen-1-yl valerate
FL/FR
(E)-2-
hexenal
FL/FR
(Z)-5-
octen-1-yl propionate
FL/FR
herbal
iso
amyl heptanoate
FL/FR
sweet
basil absolute
FL/FR
hop absolute
FL/FR
hop oil
FL/FR
wormwood oil america
FL/FR
oily
iso
phytol
FL/FR
solvent
1-
heptanol
FL/FR
spicy
(-)-
cubenol
FL/FR
waxy
iso
amyl butyrate
FL/FR
ethyl octanoate
FL/FR
phenethyl hexanoate
FL/FR
woody
beta-
damascenone
FL/FR
 
Potential Uses:
FRapple
 arrack
FRbanana
FRfruit
FRgreen
FRlemon
FRorange
FRplum
FRraspberry
FRstrawberry
FRwoodruff
 
Occurrence (nature, food, other):note
 apple fruit
Search Trop Picture
 apple plant
Search Trop Picture
 champaca concrete @ trace%
Data GC Search Trop Picture
 chokecherry
Search Trop Picture
 gourd wax gourd
Search PMC Picture
 grape
Search Trop Picture
 licorice
Search Trop Picture
 peach fruit
Search Trop Picture
 pear fruit
Search Trop Picture
 plum fruit
Search Trop Picture
 tea black tea
Search Trop Picture
 tea leaf
Search Trop Picture
 
Synonyms:
 formic acid hexyl ester
 formic acid n-hexyl ester
 formic acid, hexyl ester
N-hexyl formate
 hexyl methanoate
N-hexyl methanoate
 hexyl-formate
 hexyle formiate
 hexylformate
 
 
Notes:
Present in fruits e.g. apple, grape, peach, strawberry, black tea, licorice and other foods. Flavouring ingredient
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