2-octen-1-al
 
Right Click Picture For More Options. (Safari 1.2 (v125) Compatible).
 
IUPAC name :oct-2-enal
InChI :InChI=1/C8H14O/c1-2-3-4-5-6-7-8-9/h6-8H,2-5H2,1H3
InChIKey :LVBXEMGDVWVTGY-UHFFFAOYAR
SMILES :CCCCCC=CC=O
(EINECS) number :219-115-4
cas number :2363-89-5
fema number :3215
coe number :663
jecfa number :1363
fl. number :05.060
molar refractivity :39.35 ± 0.3 cm3
parachor :346.5 ± 4.0 cm3
index of refraction :1.432 ± 0.02
surface tension :27.3 ± 3.0 dyne/cm
density :0.832 ± 0.06 g/cm3
polarizability :15.60 ± 0.5 10-24cm3
xlogp : 3.00
molecular weight : 126.1961600
formula :C8 H14 O
 
 
export tariff code :unspecified
fda reg :unspecified
 

Suppliers :
Cargill - Alfrebro :trans-2-OCTENAL
10% in PG, natural, Kosher
Cargill - Alfrebro :trans-2-OCTENAL
10% in MTCG, natural, Kosher
Cargill - Alfrebro :trans-2-OCTENAL
10% in Ethyl Acetate, natural, Kosher

organoleptics :
odor strength :high ,
recommend smelling in a 1.00 % solution or less
odor description :
at 1.00 % in propylene glycol.  
fatty green

properties :
appearence :colorless to pale yellow clear liquid
assay : 92.00 to 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.83500 to 0.84500 @ 25.00 °C.
pounds per gallon - calc. : 6.948 to 7.031
refractive index :1.44900 to 1.45500 @ 20.00 °C.
boiling point : 84.00 to 86.00 °C. @ 19.00 mm Hg
boiling point : 188.00 to 190.00 °C. @ 760.00 mm Hg
logp : 2.64

safety :
Oral Toxicity(LD50) : Not determined
Dermal Toxicity(LD50) : Not determined
flash point ( Deg. F. ) : 155.00  °F.  TCC  ( 68.33 °C. )
recommendation for 2-octen-1-al usage levels up to :
  0.6000 % in the fragrance concentrate.

safety references :
EPI System :view
 
 
 oct-2-enal
(EINECS) number :219-115-4
chemidplus :002363895
EPA Substance Registry Services :2363-89-5
NLM Chemical Carcinogenesis Research Information System :2363-89-5
NLM Developmental and Reproductive Toxicity :2363-89-5
NLM Env. Mutagen Info. Center :2363-89-5
NLM GENetic TOXicology :2363-89-5

references :
 oct-2-enal
jecfa number :1363
fl. number :05.060
pubchem :160115
NIST Chemistry WebBook :3922441201

other :
synonyms :
 oct-2-en-1-al
 oct-2-enal
2-octen-1-al
2-octenal

soluble in :
 alcohol
 water, slightly

insoluble in :
 water

(odor and/or flavor) blends with :
 acetaldehyde butyl phenethyl acetal
 acetaldehyde di-(Z)-3-hexen-1-yl acetal
 acetaldehyde ethyl phenethyl acetal
 allyl anthranilate
isoamyl butyrate
isoamyl heptanoate
isoamyl isobutyrate
 basil absolute sweet
 citronellyl formate
 cucumber notes
neocyclocitral
 cyclohexyl propionate
(E,E)-2,4-decadien-1-al
2,4-decadien-1-al
(Z)-7-decen-1-al
3-decen-2-one
 dodecanal
 ethyl hexanoate
 fresh carbaldehyde
 furfuryl propionate
 galbanum oil terpeneless
 geranium absolute
(E,E)-2,4-heptadien-1-al
(Z)-4-hepten-1-al
(Z)-3-hepten-1-yl acetate
 heptyl cinnamate
 herbal heptane
 hexanal butane-2,3-diol acetal
 hexanal octane-1,3-diol acetal
(E)-2-hexen-1-al
(E)-2-hexen-1-al
2-hexen-1-al
3-hexen-1-al
(E)-2-hexen-1-ol
(Z)-2-hexen-1-ol
2-hexen-1-ol
3-hexen-1-ol
(E)-2-hexen-1-yl acetate
(E)-3-hexen-1-yl acetate
(Z)-3-hexen-1-yl benzoate
(Z)-3-hexen-1-yl lactate
(Z)-3-hexen-1-yl methyl carbonate
(Z)-3-hexen-1-yl pyruvate
 hexoxyacetaldehyde dimethyl acetal
 leaf acetal
 leafy acetal
 methyl (E)-2-hexenoate
 methyl 2-hexenoate
 methyl 2-methyl butyrate
 methyl heptine carbonate
 methyl octine carbonate
3-methyl-3-pentanol
(E,E)-2,6-nonadien-1-al
(E,Z)-2,6-nonadien-1-al
2,4-nonadien-1-al
(E,Z)-2,6-nonadien-1-al diethyl acetal
(E,Z)-2,6-nonadien-1-ol
(E,Z)-3,6-nonadien-1-ol
(Z,Z)-3,6-nonadien-1-ol
2,4-nonadien-1-ol
2,6-nonadien-1-ol
3,6-nonadien-1-ol
(E,Z)-2,6-nonadien-1-yl acetate
2,4,6-nonatrien-1-al
(E)-2-nonen-1-al
(Z)-2-nonen-1-al
(Z)-6-nonen-1-al
 octanal dimethyl acetal
(E)-2-octen-1-al
(Z)-2-octen-1-al
2-octen-1-al
(Z)-5-octen-1-yl propionate
 petitgrain combava oil
 phenethyl hexanoate
3-phenyl propionaldehyde
 plectranthus glandulosus hook f. leaf oil cameroon
isopropyl phenyl propionaldehyde
isopulegyl formate
 rose leaf absolute
 rosemary oleoresin
 styralyl acetate

(odor and/or flavor) used in :
 berry
 cheese
 cherry
 citrus
 cucumber
 dairy
 fish
 fruit
 green
 herbal
 leaf
 mandarin
 meat
 melon watermelon muskmelon cantaloupe
 mushroom
 nut
 orange
 rice
 spice
 tangerine
 vegetable

natural occurrence in :
found in nature



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Html Last modified 11/29/2008