(Z)-3-hexen-1-yl formate
Notes :
Blends well with herbal oils.
 
Right Click Picture For More Options. (Safari 1.2 (v125) Compatible).
 
IUPAC name :[(Z)-hex-3-enyl] formate
InChI :InChI=1/C7H12O2/c1-2-3-4-5-6-9-7-8/h3-4,7H,2,5-6H2,1H3/b4-3-
InChIKey :XJHQVZQZUGLZLS-ARJAWSKDBA
SMILES :CC\C=C/CCOC=O
(EINECS) number :251-532-7
cas number :33467-73-1
fema number :3353
coe number :2153
jecfa number :123
fl. number :09.240
molar refractivity :36.46 ± 0.3 cm3
parachor :326.4 ± 4.0 cm3
index of refraction :1.429 ± 0.02
surface tension :28.4 ± 3.0 dyne/cm
density :0.906 ± 0.06 g/cm3
polarizability :14.45 ± 0.5 10-24cm3
xlogp : 2.00
molecular weight : 128.1689800
formula :C7 H12 O2
 
 
fda reg :unspecified h. number :2915.13.0000
organoleptics : 
odor type :green
odor strength :high ,
recommend smelling in a 10.00 % solution or less
odor description :
at 10.00 % in dipropylene glycol.  
fresh green waxy sweet vegetable grassy sharp
taste description³ :at 20.00 ppm.  
Green, waxy, fresh vegetable, fruity, apple, guava, green banana
substantivity :4  Hour(s)
properties : 
appearence :colorless clear liquid
assay : 98.00 - 100.00 %   sum of isomers
Food Chemicals Codex Listed :No
specific gravity :0.90800 - 0.91800 @ 25.00 °C.
pounds per gallon - calc. : 7.555 to 7.639
refractive index :1.42400 - 1.43100 @ 20.00 °C.
boiling point : 72.00 °C. @ 40.00 mm Hg
boiling point : 154.00 - 156.00 °C. @ 760.00 mm Hg
acid value : 2.00  max.  KOH/g
logp : 2.10
shelf life : 24.00 month(s) or longer if stored properly.
storage :store in cool, dry place in tightly sealed containers, protected from heat and light.
safety : 
most important hazard(s) : Xi - Irritant
  
Oral Toxicity(LD50) : Oral-Rat    >5.00  gm/kg  FCTXAV  17,797,1979
Dermal Toxicity(LD50) : Skin-Rabbit  >5.00  mg/kg  FCTXAV  17,797,1979
Maximised Survey-derived Daily Intakes (MSDI) :43.00 (μg/capita/day)
  
flash point ( Deg. F. ) : 113.00  °F.  TCC  ( 45.00 °C. )
  
recommendation for (Z)-3-hexen-1-yl formate usage levels up to :
  6.0000 % in the fragrance concentrate.
  
recommendation for (Z)-3-hexen-1-yl formate usage levels up to :
  20.0000 ppm in the flavor.
  
safety links : 
msds :msds
  
(EINECS) number :251-532-7
rtecs :MP8550000 for 33467-73-1
chemidplus :033467731
epa-srs :33467-73-1
  
other : 
  C of A
references : 
pubchem :177994
NIST Chemistry WebBook :911574283
  
reference : Mosciano, Gerard P&F 16, No. 5, 71, (1991)³
synonyms :
(Z)-hex-3-enyl formate
cis-3-hexen-1-ol formate
(Z)-3-hexen-1-yl formate
cis-3-hexen-1-yl formate
cis-beta-hexen-1-yl formate
(Z)-3-hexen-1-yl methanoate
beta,gamma-hexen-1-yl methanoate
cis-3-hexen-1-yl methanoate
(Z)-3-hexenyl formate
cis-3-hexenyl formate
soluble in :
 alcohol
 propylene glycol
 water, slightly
insoluble in :
 water
(odor and/or flavor) blends with :
 acetaldehyde ethyl phenethyl acetal
 allyl amyl glycolate
isoamyl acetate
isoamyl benzoate
isoamyl butyrate
isoamyl isovalerate
para-anisyl acetate
 benzaldehyde
 benzyl acetate
 benzyl propionate
 bergamot oil
 bois de rose oil
 citronellyl acetate
 citrus carbaldehyde
 clary sage oil
 coriander seed oil
 cyclamen aldehyde
 cyclohexyl ethyl alcohol
 dihydromyrcenol
 dimethyl benzyl carbinol
 ethyl heptanoate
 fir needle oil
 floral pyranol
 galbanum oil
 geranyl acetate
 grapefruit oil
 grapefruit pentanol
 green acetate
(Z)-3-hexen-1-ol
(Z)-3-hexen-1-yl 2-methyl butyrate
(Z)-3-hexen-1-yl acetate
(Z)-3-hexen-1-yl benzoate
(Z)-3-hexen-1-yl butyrate
(Z)-3-hexen-1-yl propionate
(Z)-3-hexen-1-yl salicylate
(Z)-3-hexen-1-yl tiglate
 hexyl 2-methyl butyrate
 hexyl acetate
 hexyl isovalerate
 hexyl tiglate
 hyacinth ether
2,4-ivy carbaldehyde
 leaf acetal
 linalool
laevo-linalool
 linalool oxide
 linalyl acetate
 melon nonenoate
 methyl dihydrojasmonate
 narcissus absolute
 neryl acetate
(E,Z)-2,6-nonadien-1-al
(E,Z)-2,6-nonadien-1-ol
 oakmoss absolute
 ocean propanal
 orris pyridine
 peony alcohol
 petitgrain oil
 phenethyl acetate
3-phenyl propionaldehyde
 styralyl acetate
alpha-terpineol
 violet leaf absolute
 violet methyl carbonate
 woody acetate
 woody amylene
(odor and/or flavor) used in :
 absinthe
 agrumen
 aldehydic
 alpine bouquet
 apple
 apple crabapple
 apple green apple
 apple red apple
 asafoetida
 ash mountain ash
 banana
 bean
 blue mist
 boronia
 bouquet
 boxwood
 boxwood blossom
 briar sweet briar eglantine
 broom genet genista
 cassis black currant bud
 celery
 chamomile
 champaca champak
 cherry maraschino cherry
 cherry wild cherry
 chervil
 cilantro
 citronella
 clematis
 cognac
 crabapple blossom
 cucumber
 cyclamen
 daffodil narcissus
 elder blossom
 elderberry
 evergreen
 fern fougere
 fig
 foliage
 galbanum
 gardenia
 grass green grass
 green
 guava
 herbal
 hugonia
 hyacinth jacinthe
 ivy leaf
 jackfruit
 jasmin
 jonquil narcissus jonquilla
 kiwi
 leaf
 leaf autumn leaf
 leaf green leaf
 linden blossom limeflower tilleul
 marjoram
 mate
 meadow
 melissa balm
 melon honeydew
 melon watermelon muskmelon cantaloupe
 mimosa wattle
 moss
 nut
 ocean sea
 oregano
 palmarosa
 pansy
 parsley
 passion fruit
 pear
 pear prickly pear
 pennyroyal
 peppermint
 petunia
 pineapple
 pomegranate
 privet
 privet blossom
 raspberry
 reseda mignonette
 rhubarb
 rose
 starfruit
 strawberry
 sweet pea pois de senteur
 tamarind
 tea
 tea green tea
 tulip
 wasabi
 watercress nasturtium
 wintergreen
 woody
 wormwood absinthium
 yew
natural occurrence in :
data pagechampaca concrete @ trace%
raspberry
tea



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