2-dodecen-1-al
 
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IUPAC name :dodec-2-enal
InChI :InChI=1/C12H22O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h10-12H,2-9H2,1H3
InChIKey :SSNZFFBDIMUILS-UHFFFAOYAK
SMILES :CCCCCCCCCC=CC=O
(EINECS) number :225-402-5
cas number :4826-62-4
fema number :2402
coe number :124
jecfa number :1350
fl. number :05.037
molar refractivity :57.88 ± 0.3 cm3
parachor :505.6 ± 4.0 cm3
index of refraction :1.444 ± 0.02
surface tension :29.1 ± 3.0 dyne/cm
density :0.837 ± 0.06 g/cm3
polarizability :22.94 ± 0.5 10-24cm3
xlogp : 5.30
molecular weight : 182.3024800
formula :C12 H22 O
 
 
export tariff code :2912.19.9000
fda reg :unspecified
 

Suppliers :
Bedoukian Research :2-DODECENAL (HIGH TRANS)
≥93.0% (trans), FCC, Kosher
Cargill - Alfrebro :trans-2-DODECENAL
10% in MTCG, natural, Kosher
Cargill - Alfrebro :trans-2-DODECENAL
10% in Ethyl Acetate, natural, Kosher

organoleptics :
odor type :herbal
odor strength :high ,
recommend smelling in a 1.00 % solution or less
odor description :
at 1.00 % in dipropylene glycol.  
herbal

properties :
appearence :colorless to pale yellow clear liquid
assay : 95.00 to 100.00 %   sum of isomers
Food Chemicals Codex Listed :No
specific gravity :0.84000 to 0.85000 @ 20.00 °C.
pounds per gallon - calc. : 6.998 to 7.081
refractive index :1.45000 to 1.46000 @ 20.00 °C.
boiling point : 263.00 to 264.00 °C. @ 760.00 mm Hg
acid value : 5.00  max.  KOH/g
logp : 4.76

safety :
most important hazard(s) : Xi - Irritant
Oral Toxicity(LD50) : Oral-Rat    >5.00  gm/kg    
Dermal Toxicity(LD50) : Skin-Rabbit  5.00  gm/kg    
flash point ( Deg. F. ) : 200.00  °F.  TCC  ( 93.33 °C. )
recommendation for 2-dodecen-1-al usage levels up to :
  2.0000 % in the fragrance concentrate.

safety references :
EPI System :view
 
 
 dodec-2-enal
(EINECS) number :225-402-5
chemidplus :4826-62-4
EPA Substance Registry Services :4826-62-4
NLM Chemical Carcinogenesis Research Information System :4826-62-4
NLM Developmental and Reproductive Toxicity :4826-62-4
NLM Env. Mutagen Info. Center :4826-62-4
NLM GENetic TOXicology :4826-62-4

references :
 dodec-2-enal
jecfa number :1350
fl. number :05.037
pubchem :29288404

other :
synonyms :
 dodec-2-en-1-al
 dodec-2-enal
2-dodecen-1-al
2-dodecenal
3-nonyl acrolein
beta-octyl acrolein

soluble in :
 alcohol

insoluble in :
 water

(odor and/or flavor) blends with :
6-acetoxydihydrotheaspirane
 acetyl nonyryl
 aldehydic nitrile
 blood orange oil
 citronellal
 citronellyl nitrile
2,4-decadien-1-ol
 decanal
 decanal diethyl acetal
3-decanone
(Z)-4-decen-1-al
(Z)-7-decen-1-al
4-decen-1-al
(Z)-4-decen-1-al diethyl acetal
(E,Z)-2,6-dodecadien-1-al
 dodecane nitrile
(Z)-4-dodecen-1-al
 ethyl ethyl anthranilate
 ethyl methyl anthranilate
 geranyl oxyacetaldehyde
 green carbaldehyde
(Z)-3-hexen-1-yl oxyacetaldehyde
 lime octadienal
 mandarin oil italy
 mandarine undecenal
 marine decadienal
 methyl 10-undecenal
2-methyl decanal
 mikan peel oil
 muguet butanal
 nonanal
2-nonanol
(E)-2-nonen-1-al
(E)-2-nonen-1-yl acetate
 nonyl anthranilate
 nootkatone
 octanal
 octanal glycol acetal
 orange fruit oil
 orange oil
 orange oil bitter
 orange oil terpeneless
 orange peel oil bitter china
 orange peel oil bitter italy
 orange peel oil bitter terpeneless
 orangeflower water absolute
 petitgrain mandarin oil terpeneless
alpha-sinensal
 tangerine acetate
 tangerine nitrile
 tangerine oil
 tangerine oil terpeneless
(E)-2-tetradecen-1-al
2-tetradecen-1-al
 tmh aldehyde
(E)-2-tridecen-1-al
2-tridecen-1-al
 undecanal
N-/i-undecanal
(E)-2-undecen-1-al
(Z)-8-undecen-1-al
10-undecen-1-al
8-undecen-1-al
 waxy aldehyde
 waxy nitrile
 waxy undecadienol

(odor and/or flavor) used in :
 balsam
 citrus
 herbal

natural occurrence in :
data pagegrapefruit oil c.p. @ 0.02%
data pagegrapefruit oil c.p. @ 0.03%
data pagegrapefruit oil c.p. italy @ trace%



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Html Last modified 11/29/2008