hexyl acetate
Suppliers  organoleptics  properties  safety  references  cosmetics    FEMA Index    Home Page
 
Right Click Picture For More Options. (Safari 1.2 (v125) Compatible).
 
IUPAC name :hexyl acetate
InChI :InChI=1/C8H16O2/c1-3-4-5-6-7-10-8(2)9/h3-7H2,1-2H3
InChIKey :AOGQPLXWSUTHQB-UHFFFAOYAT
SMILES :CCCCCCOC(=O)C
cas number :142-92-7
(EINECS) number :205-572-7
beilstein number :1747138
fema number :2565
coe number :196
jecfa number :128
fl. number :09.006
molar refractivity :40.88 ± 0.3 cm3
parachor :375.1 ± 4.0 cm3
index of refraction :1.412 ± 0.02
surface tension :27.3 ± 3.0 dyne/cm
density :0.878 ± 0.06 g/cm3
polarizability :16.20 ± 0.5 10-24cm3
XlogP : 2.70
molecular weight : 144.2114400 (IUPAC)
formula :C8 H16 O2
BioActivity Analysis :48415198
NMR Predictor :Predict
 
 
export tariff code :2915.39.9050
fda reg :172.515

Suppliers :
Advanced Biotech :hexyl acetate
98% min. natural
Odor:  Floral, Pear
Apple :Hexyl acetate
Berje :Hexyl Acetate
FCC
Cargill - Alfrebro :n-HEXYL ACETATE
natural, Kosher
Elan :Hexyl Acetate
Natural (Organic Compliant)
Elan :hexyl acetate
(natural), Kosher
Fleurchem :hexyl acetate
natural
Fontarome :N-HEXYL ACETATE
Odor:  Fruity
Frutarom :HEXYL ACETATE
≥99.00%, NI, Kosher
Odor:  Fresh, Fruity, Pear, Sweet
Grau Aromatics :HEXYL-ACETATE
FCC, NI, Kosher
IFF :Hexyl Acetate
≥98.00%, natural, Kosher
IFF :Hexyl Acetate
Odor:  A green, fruity, sweet, aldehydic note reminiscent of pear.
Inoue :HEXYL ACETATE
John D. Walsh :Hexyl Acetate
Mane :hexyl acetate
Moellhausen :hexyl acetate
98% min. nature identical kosher
Odor:  fresh, fruity, pear note
Flavor:  sweet, fruity
Penta :hexyl acetate
Penta :hexyl acetate
FCC (natural)
Robertet :Hexyl acetate
naturel
Sigma-Aldrich-SAFC :Hexyl acetate
≥98%, FCC, Kosher, FG
Odor:  apple; cherry; floral; pear; sweet
Sigma-Aldrich-SAFC :Hexyl acetate
≥98%, natural, FCC, Kosher
Odor:  apple; cherry; floral; pear; sweet
Symrise :Hexyl acetate
Odor:  sweet, fruity, pear-like, somewhat green
Flavor:  sweet, fruity, estery, similar to pear
Symrise :Hexyl acetate
natural
Flavor:  fruity, sweet, estery, peely, pear-, banana-like
Ungerer :Hexyl Acetate
Vigon :Acetate C-6 Hexyl Acetate
FCC
Vigon :Hexyl Acetate
Natural

organoleptics :
odor type :fruity
odor strength :medium ,
recommend smelling in a 10.00 % solution or less
odor description :¹
at 10.00 % in dipropylene glycol.  
fruity green apple banana sweet
odor sample from :International Flavors & Fragrances Inc.
substantivity :5 hour(s) at 100.00 %

properties :
appearence :colorless clear oily liquid
assay : 98.00 to 100.00 %   
Food Chemicals Codex Listed :Yes
specific gravity :0.86800 to 0.87600 @ 25.00 °C.
pounds per gallon - calc. : 7.223 to 7.289
specific gravity :0.86900 to 0.87700 @ 20.00 °C.
pounds per gallon - calc. : 7.239 to 7.306
refractive index :1.40600 to 1.41100 @ 20.00 °C.
melting point : -80.00 °C. @ 760.00 mm Hg
boiling point : 170.00 to 172.00 °C. @ 760.00 mm Hg
boiling point : 61.00 to 62.00 °C. @ 12.00 mm Hg
acid value : 1.00  max.  KOH/g
vapor pressure :1.32000 mm/Hg @ 25.00 °C.
vapor density :4.9 ( Air = 1 )
flash point : 132.00  °F.  TCC  ( 55.56 °C. )
logP (o/w) : 2.83

safety :
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 36 - Wear suitable protective clothing.
Human experience : 4 % solution: no irritation or sensitization.
Oral Toxicity(LD50) :
  Oral-Rat    41500.00  ul/kg

Dermal Toxicity(LD50) :
  Skin-Rabbit  >5000.00  mg/kg

Inhalation Toxicity(LC50) :
  Not determined
 

safety in use :
Maximised Survey-derived Daily Intakes (MSDI-EU) :3200.00 (μg/capita/day)
 
recommendation for hexyl acetate usage levels up to :
  5.0000 % in the fragrance concentrate.
recommendation for hexyl acetate usage levels up to :
  25.0000 ppm in the flavor.

safety references :
European Food Safety Athority(efsa) :Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies...
EPI System :view
NLM Hazardous Substances Data Bank :search
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
WISER :UN 3272
 
WGK Germany :1
 
 
 
 hexyl acetate
(EINECS) number :205-572-7
RTECS :AI0875000 for 142-92-7
chemidplus :000142927
EPA/NOAA CAMEO :hazardous materials
EPA Substance Registry Services :142-92-7
dtp/nci :7323

references :
 hexyl acetate
fl. number :09.006
jecfa number :128
NIST Chemistry WebBook :194485773
pubchem :152059

Cosmetics :
Cosmetic uses : perfuming agents

other :
reference : Luebke, William tgsc, (1983)¹
CosIng :cosmetic data
VCF-Online: VCF Volatile Compounds in Food
synonyms :
 acetate C-6
 acetic acid hexyl ester
1-hexyl acetate
N-hexyl acetate
 hexyl alcohol acetate
 hexyl ethanoate
N-hexyl ethanoate

soluble in :
 alcohol
 ether
 water, 511 mg/L @ 25C

insoluble in :
 water

stability :
 alcoholic lotion
 antiperspirant
 deo stick
 detergent perborate
 fabric softener
 hard surface cleaner
 shampoo
 soap

(odor and/or flavor) blends with :
 acetaldehyde benzyl 2-methoxyethyl acetal
 acetaldehyde dihexyl acetal
 acetaldehyde ethyl phenethyl acetal
 acetaldehyde methyl hexyl acetal
 allyl amyl glycolate
 allyl butyrate
 allyl cyclohexyl propionate
 allyl heptanoate
 allyl hexanoate
 allyl isovalerate
 allyl octanoate
 allyl salicylate
 allyl tiglate
 amyl acetate
isoamyl acetate
isoamyl benzoate
 amyl butyrate
isoamyl butyrate
alpha-amyl cinnamaldehyde diethyl acetal
isoamyl formate
 amyl heptanoate
isoamyl heptanoate
 amyl hexanoate
isoamyl hexanoate
 amyl isobutyrate
isoamyl isobutyrate
isoamyl isovalerate
isoamyl octanoate
isoamyl propionate
isoamyl salicylate
 angelica root oil
para-anisyl acetate
 benzaldehyde
 benzyl acetate
 benzyl benzoate
 benzyl cinnamate
 benzyl isobutyrate
 benzyl propionate
 bergamot oil
 berry pentadienoate
 blood orange oil
 bois de rose oil
 boronia absolute
 buchu mercaptan
isobutyl 2-butenoate
 butyl 2-methyl butyrate
 butyl acetate
isobutyl acetate
isobutyl cinnamate
 butyl isobutyrate
isobutyl propionate
 caramel furanone
 carrot seed oil
 chamomile oil
 cherry pentenoate
 citral
 citronella oils
 citronellyl acetate
 citronellyl nitrile
 citronellyl propionate
 citrus carbaldehyde
 clary sage oil
 cognac heptanone
 coriander seed oil
para-cresyl isobutyrate
 cyclamen aldehyde
beta-cyclocitral
 cyclohexyl ethyl alcohol
 cyclohexyl formate
 cyclohexyl isovalerate
 cyclohexyl propionate
2-cyclopentyl cyclopentanone
gamma-damascone
alpha-decalactone
 decanal
3-decen-2-one
9-decenoic acid
 diethyl maleate
 diethyl malonate
 dihydromyrcenol
 dimethyl succinate
6,8-dimethyl-2-nonanol
(E,E)-2,4-dodecadien-1-ol
 ethyl (E,Z)-2,4-decadienoate
 ethyl (E)-2-hexenoate
 ethyl (E)-2-octenoate
 ethyl (E)-4-decenoate
 ethyl 2-cyclohexyl propionate
 ethyl 2-octenoate
 ethyl 3-acetoxyhexanoate
 ethyl 3,5,5-trimethyl hexanoate
 ethyl acetoacetate
2-ethyl butyl acetate
 ethyl butyrate
 ethyl heptanoate
 ethyl hexanoate
 ethyl methyl-para-tolyl glycidate
 ethyl octanoate
2-ethyl-4-butanol
 fir carboxylate
 fir needle oil
 floral pyranol
 furfuryl acetate
 furfuryl propionate
 galbanum oil
 geranyl acetate
(E)-geranyl acetone
 geranyl isovalerate
 grapefruit oil
 grapefruit pentanol
 green acetate
 green dioxolane
(E,E)-2,4-heptadien-1-ol
 heptanal cyclic ethylene acetal
2-heptanol
(Z)-3-hepten-1-yl acetate
 heptyl isobutyrate
 hexanal propylene glycol acetal
(E)-2-hexen-1-al
2-hexen-1-al
(E)-2-hexen-1-al diethyl acetal
2-hexen-1-al diethyl acetal
(E)-2-hexen-1-ol
(Z)-3-hexen-1-ol
2-hexen-1-ol
(Z)-3-hexen-1-yl (E)-2-hexenoate
(Z)-3-hexen-1-yl 2-methyl-2-pentenoate
(E)-2-hexen-1-yl acetate
(E)-3-hexen-1-yl acetate
(Z)-3-hexen-1-yl acetate
2-hexen-1-yl acetate
(E)-2-hexen-1-yl butyrate
(Z)-3-hexen-1-yl butyrate
(E)-2-hexen-1-yl formate
(E)-2-hexen-1-yl hexanoate
(Z)-3-hexen-1-yl hexanoate
(Z)-3-hexen-1-yl isobutyrate
(E)-2-hexen-1-yl isovalerate
(Z)-3-hexen-1-yl isovalerate
(E)-2-hexen-1-yl propionate
(Z)-3-hexen-1-yl propionate
(Z)-3-hexen-1-yl salicylate
(Z)-3-hexen-1-yl tiglate
(E)-2-hexen-1-yl valerate
(Z)-3-hexen-1-yl valerate
1-hexen-3-yl acetate
 hexyl (E)-2-hexenoate
 hexyl 2-butenoate
 hexyl 2-methyl butyrate
 hexyl butyrate
alpha-hexyl cinnamaldehyde
 hexyl formate
 hexyl isobutyrate
 hexyl isovalerate
 hexyl octanoate
 hexyl pivalate
 hexyl propionate
 hexyl tiglate
 ho leaf oil
 hyacinth ether
2,4-ivy carbaldehyde
 lavender absolute
 leaf acetal
 lemon oil
 lily propanol
 lime oil
 linalool
laevo-linalool
 linalool oxide
 linalyl acetate
 linalyl butyrate
 linalyl hexanoate
 litsea cubeba oil
 mandarin oil
 melon heptenal
 melon nonenoate
 melon valerate
 methyl (E)-2-hexenoate
 methyl (E)-3-nonenoate
 methyl (E)-3-nonenoate
 methyl 2-hexenoate
 methyl 2-methyl valerate
 methyl 2-undecynoate
 methyl 4-methyl valerate
 methyl 4-pentenoate
2-methyl butyl 2-methyl butyrate
2-methyl butyl acetate
 methyl butyrate
 methyl dihydrojasmonate
(E)-methyl geranate
 methyl heptanoate
 methyl heptenone
 methyl R-3-acetoxyhexanoate
2-methyl valeraldehyde
 methyl valerate
3-methyl valeric acid
(E)-2-methyl-2-octen-1-al
2-methyl-2-octen-1-al
3-methyl-3-pentanol
 mimosa absolute
 muguet carboxaldehyde
 muguet octadienol
 nerolidyl isobutyrate
 neryl acetate
 nonanal
 nopyl acetate
 ocean propanal
(E,E)-3,5-octadien-2-one
 octanal
(E)-2-octen-1-al
 octen-1-yl cyclopentanone
(Z)-5-octen-1-yl propionate
 octyl 2-methyl butyrate
 octyl butyrate
 orange oil
 papaya isobutyrate
2-pentanone
(E)-2-penten-1-al
2-pentyl furan
 pepper oil black
 petitgrain oil
 phenethyl acetate
 phenethyl hexanoate
 phenoxyethyl isobutyrate
4-phenyl-2-butyl acetate
 pineapple pentenoate
 prenol
 prenyl acetate
 prenyl ethyl ether
 prenyl hexanoate
isopropyl 2-methyl butyrate
isopropyl acetate
isopropyl octanoate
alpha-isopropyl phenyl acetaldehyde
isopropyl propionate
 rhubarb undecane
 rose butanoate
 sorbyl isobutyrate
 spruce oil
 styralyl acetate
 tagete oil india
alpha-terpineol
alpha-terpinyl acetate
 tetrahydrofurfuryl butyrate
 tetrahydrolinalool
 tetrahydromyrcenol
 thiogeraniol
 tiglaldehyde
 timber dioxolane
 tricyclodecyl acetate
 tropical indene
 tropical thiazole
 verbena oil
 violet dienyne
 violet methyl carbonate
 woody acetate

(odor and/or flavor) used in :
 agrumen
 aldehydic
 apple
 apple blossom
 apple crabapple
 apple green apple
 apple red apple
 apricot
 ash mountain ash blossom
 banana
 banana quana banana
 bark
 beer
 blackberry
 blossom tropical blossom
 boxwood blossom
 brandy
 briar sweet briar eglantine
 butterscotch
 cassis black currant bud
 champaca champak
 cherry
 cherry wild cherry
 chestnut blossom
 chrysanthemum chrysantheme
 cider
 citrus
 cloudberry bakeapple
 cognac
 cologne
 colonia
 crabapple blossom
 cranberry
 curacao
 date
 elderberry
 fig
 foliage
 freesia
 fruit
 gooseberry
 grape
 grapefruit
 grass sweet grass
 green
 herbal
 hibiscus
 hops houblon
 huckleberry bilberry
 hugonia
 iris blossom
 jackfruit
 jasmin
 kewda
 kiwi
 kiwi blossom
 kumquat
 lavender
 lime
 lychee soapberry
 magnolia
 mango
 mango blossom
 mate
 meadow
 melon watermelon muskmelon cantaloupe
 mulberry
 nectarine
 orange mock orange
 pansy
 papaya
 passion blossom
 passion fruit
 pear
 pear bartlett pear
 pear blossom
 pear emperor pear
 petitgrain bergamot petitgrain
 pineapple
 pomegranate
 ripe
 rose wild rose
 spearmint
 starfruit
 strawberry
 strawberry leaf
 tangerine
 tea black tea
 tea green tea
 tropical
 verbena verveine
 wistaria wisteria glycine
 ylang ylang cananga

natural occurrence in :
apple
apple juice
banana
beer
data pagebergamot oil @ 0.000-0.002%
data pagechampaca concrete @ trace%
cider
cognac
data pagefrankincense oil somalia @ 0.10%
data pageguava fruit oil reunion @ 0.10%
data pageheracleum paphlagonicum czeczott fruit oil turkey @ 1.30%
data pagelavandin oil abrialis @ 0.24%
data pagelavandin oil china @ 0.10%
data pagelavandin oil grosso @ 0.17%
data pagelavender oil CO2 extract france @ 0.15%
data pagelavender oil france @ 1.96%
mango
data pageneroli oil CO2 extract @ 0.04%
pear
data pagesalvia atropatana bunge oil iran @ 0.10%
strawberry
tea black tea
wine white & red wine
data pageylang ylang oil II (cananga odorata hook. f. and thomas.) @ 0.01%



information only - not sold by The Good Scents Company.



Please share your Information / Comments.

Your email Address:



Top of Page          The Good Scents Company Home

Copyright © 1980-2009 The Good Scents Company Disclaimer Privacy Policy
Html Last modified 10/07/2009