(E)-2-dodecen-1-al
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IUPAC name :(E)-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/b11-10+
InChIKey :SSNZFFBDIMUILS-ZHACJKMWBA
SMILES :CCCCCCCCC\C=C\C=O
cas number :20407-84-5
(EINECS) number :243-797-2
beilstein number :2434537
fema number :2402
coe number :124
fl. number :05.144
molar refractivity :57.88 ± 0.3 cm3
parachor :506.6 ± 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 (IUPAC)
formula :C12 H22 O
NMR Predictor :Predict
 
 
export tariff code :unspecified
fda reg :unspecified

Suppliers :
Apple :trans-2-Dodecen-1-al
Bedoukian Research :2-DODECENAL (HIGH TRANS)
≥93.0% (trans), FCC, Kosher
Odor:  waxy, mandarin orange.
Firmenich :MANDARINE ALDEHYDE 10% CITR
Odor:  Powerful complex odour of bitter orange, mandarin and coriander.
Fontarome :T2-DODECENAL
Odor:  Powerful citrus odor, fatty
Frutarom :trans-2-DODECENAL
≥98.00%, NI, Kosher
Odor:  Citrus, Mandarin, Orange.
Penta :trans-2-dodecenal
Sigma-Aldrich-SAFC :trans-2-Dodecenal
≥93%, FCC, Kosher
Odor:  orange; fatty; herbaceous.
Symrise :Mandarin aldehyde
10% in TEC
Vigon :Mandarine Aldehyde 10
Odor:  CITRUS, ALDEHYDIC

organoleptics :
odor type :citrus
odor strength :high ,
recommend smelling in a 1.00 % solution or less
odor description :¹
at 1.00 % in dipropylene glycol.  
citrus metallic mandarin orange waxy aldehydic
odor sample from :Firmenich & Company Inc.
substantivity :72 hour(s) at 10.00 % in dipropylene glycol

properties :
appearence :colorless clear oily liquid
assay : 96.00 to 100.00 %   sum of isomers
Food Chemicals Codex Listed :Yes
specific gravity :0.83900 to 0.84900 @ 25.00 °C.
pounds per gallon - calc. : 6.981 to 7.065
refractive index :1.46200 to 1.46400 @ 20.00 °C.
boiling point : 73.00 to 74.00 °C. @ 0.50 mm Hg
boiling point : 125.00 to 128.00 °C. @ 760.00 mm Hg
vapor pressure :0.01000 mm/Hg @ 20.00 °C.
flash point :> 212.00  °F.  TCC  ( > 100.00 °C. )
logP (o/w) : 4.76

safety :
most important hazard(s) :Xi - Irritant
  R 38 - Irritating to skin.
S 02 - Keep out of the reach of children.
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 : 1 % solution: no irritation or sensitization.
Oral Toxicity(LD50) :
  Oral-Rat    >5000.00  mg/kg

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

Inhalation Toxicity(LC50) :
  Not determined
 

safety in use :
 
recommendation for (E)-2-dodecen-1-al usage levels up to :
  1.0000 % in the fragrance concentrate.
recommendation for (E)-2-dodecen-1-al usage levels up to :
  3.0000 ppm in the flavor.

safety references :
EPI System :view
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
WISER :UN 1760
 
WGK Germany :2
 
 
 
 (E)-dodec-2-enal
(EINECS) number :243-797-2
RTECS :JR5150000 for 20407-84-5
chemidplus :020407845
EPA Substance Registry Services :20407-84-5

references :
 (E)-dodec-2-enal
fl. number :05.144
NIST Chemistry WebBook :2669064863
pubchem :665331

other :
reference : Luebke, William tgsc, (1986)¹
VCF-Online: VCF Volatile Compounds in Food
synonyms :
 aldehyde mandarin 10%
 aldehyde mandarine 10%
(E)-dodec-2-en-1-al
(E)-dodec-2-enal
(2E)-2-dodecen-1-al
trans-2-dodecen-1-al
(E)-2-dodecenal
trans-2-dodecenal
 mandarin aldehyde 10%
 mandarine aldehyde 10%
(E)-3-nonyl acrolein

soluble in :
 alcohol
 fixed oils

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 :
 citrus
 cologne
 coriander
 fern fougere
 green
 mandarin
 orange
 orange bitter orange
 spice
 tangerine

natural occurrence in :
carrot
data pagecoriander leaf oil @ 15.60-21.60%
coriander seed
eryngium foetidum l.
data pageeschweilera coriacea (a. p. dc.) mori flower oil brazil @ 1.70%
ginger
data pagemandarin oil uruguay @ 0.01-0.02%
milk
orange bitter orange
peanut
peanut roasted peanut
rice



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