undecanal (aldehyde C-11 undecylic)
 
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IUPAC name :undecanal
InChI :InChI=1/C11H22O/c1-2-3-4-5-6-7-8-9-10-11-12/h11H,2-10H2,1H3
InChIKey :KMPQYAYAQWNLME-UHFFFAOYAE
cas number :112-44-7
% from :92.00% to 97.00%
(EINECS) number :203-972-6
beilstein number :1753213
fema number :3092
coe number :121
jecfa number :107
fl. number :05.034
molar refractivity :53.19 ± 0.3 cm3
parachor :478.6 ± 4.0 cm3
index of refraction :1.426 ± 0.02
surface tension :28.3 ± 3.0 dyne/cm
density :0.820 ± 0.06 g/cm3
polarizability :21.08 ± 0.5 10-24cm3
xlogp : 5.10
molecular weight : 170.2917800
formula :C11 H22 O
BioActivity Analysis :48414880
 
 
IUPAC name :2-methyldecanal
InChI :InChI=1/C11H22O/c1-3-4-5-6-7-8-9-11(2)10-12/h10-11H,3-9H2,1-2H3
InChIKey :LBICMZLDYMBIGA-UHFFFAOYAH
SMILES :CCCCCCCCC(C)C=O
cas number :19009-56-4
% from :3.00% to 8.00%
(EINECS) number :242-745-6
beilstein number :1753165
fl. number :05.160
molar refractivity :53.15 ± 0.3 cm3
parachor :476.0 ± 4.0 cm3
index of refraction :1.425 ± 0.02
surface tension :27.5 ± 3.0 dyne/cm
density :0.819 ± 0.06 g/cm3
polarizability :21.07 ± 0.5 10-24cm3
xlogp : 4.90
molecular weight : 170.2917800
formula :C11 H22 O
BioActivity Analysis :48414815
 
 
export tariff code :2912.30.0000
fda reg :172.515
Suppliers :
Firmenich :ALDEHYDE C 11 UNDECYLIC
≥97%
Givaudan :Aldehyde C 110 Undecylic
Food Grade
Odor:  Aldehydic, Citrus peel, Fatty, Diffusive
Moellhausen :aldehyde C11 undecylic
97% min. nature identical kosher
Odor:  waxy, aldehydic, fatty, slightly citrus aroma
Penta :aldehyde C-11 undecylic
Sigma-Aldrich-SAFC :Undecanal
≥96%, FCC, Kosher
Odor:  orange; fatty; rose; waxy
Vigon :Aldehyde C-11 Undecylic
FCC
Odor:  STRONG, FATTY, WOODY, ORANGE PEEL
organoleptics :
odor type :aldehydic
odor strength :high ,
recommend smelling in a 1.00 % solution or less
odor description :¹
at 1.00 % in dipropylene glycol.  		waxy soapy floral aldehydic citrus green fatty fresh laundry
odor sample from :Berje Inc.
substantivity :51 hour(s) at 100.00 %
properties :
appearence :colorless to pale yellow clear liquid
assay : 92.00 to 100.00 %   
additional assay information :2-methyldecanal: 3% - 8%
Food Chemicals Codex Listed :Yes
specific gravity :0.82500 to 0.83300 @ 25.00 °C.
pounds per gallon - calc. : 6.865 to 6.931
specific gravity :0.82600 to 0.83400 @ 20.00 °C.
pounds per gallon - calc. : 6.881 to 6.948
refractive index :1.43000 to 1.43400 @ 20.00 °C.
melting point : -3.00 to -1.00 °C. @ 760.00 mm Hg
boiling point : 109.00 to 115.00 °C. @ 5.00 mm Hg
boiling point : 223.00 °C. @ 760.00 mm Hg
acid value : 10.00  max.  KOH/g
vapor density :5.94 ( Air = 1 )
flash point : 205.00  °F.  TCC  ( 96.11 °C. )
logp : 4.25
safety :
most important hazard(s) :Xi - Irritant
  R 36/37/38 - Irritating to eyes, respiratory system, and 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 37/39 - Wear suitable gloves and eye/face protection.
Oral Toxicity(LD50) :
  Not determined
Dermal Toxicity(LD50) :
  Not determined
Inhalation Toxicity(LC50) :
  Not determined
 
safety in use :
 
recommendation for undecanal (aldehyde C-11 undecylic) usage levels up to :
  1.0000 % in the fragrance concentrate.
recommendation for undecanal (aldehyde C-11 undecylic) usage levels up to :
  20.0000 ppm in the flavor.
safety references :
EPI System :view
Env. Mutagen Info. Center :Search
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
 
WGK Germany :1
 
 
 
 undecanal
(EINECS) number :203-972-6
RTECS :YQ1500000 for 112-44-7
chemidplus :000112447
EPA Substance Registry Services :112-44-7
dtp/nci :22578
 
 
 2-methyldecanal
(EINECS) number :242-745-6
chemidplus :019009564
EPA Substance Registry Services :19009-56-4
references :
 undecanal
fl. number :05.034
jecfa number :107
NIST Chemistry WebBook :2730019120
pubchem :151316
 2-methyldecanal
fl. number :05.160
pubchem :171711
Cosmetics :
Cosmetic uses : perfuming agents
other :
reference : Luebke, William tgsc, (1981)¹
CosIng :cosmetic data
VCF-Online: VCF Volatile Compounds in Food
synonyms :
 aldehyde C-11 undecylic
 hendecanal
 hendecanaldehyde
1-undecanal
N-undecanal
 undecanaldehyde
alpha-undecanone
 undecyl aldehyde
N-undecyl aldehyde
 undecylic aldehyde
soluble in :
 dipropylene glycol
 fixed oils
 propylene glycol
insoluble in :
 water
 glycerin
stability :
 antiperspirant roll-on
 cream
 deodorant spray
 hair spray
 non-discoloring in most media
 permanent wave lotion
 powder
 shampoo
 soap
(odor and/or flavor) blends with :
 aldehydic nitrile
 benzyl laurate
 butyl laurate
 citronellyl oxyacetaldehyde
 citrus carbaldehyde
2,4-decadien-1-al
(Z)-7-decen-1-al
2-decen-1-al
3-decen-2-one
 dihydroxyacetophenone
 dodecanal
 dodecanal dimethyl acetal
 dodecanol
(Z)-4-dodecen-1-al
 epoxy-2-decenal
 ethyl hexanoate
 ethyl undecanoate
 fresh carbaldehyde
 furfuryl hexanoate
 guaiyl acetate
(E,E)-2,4-heptadien-1-al
 heptanal cyclic propylene acetal
3-heptanone
(Z)-4-hepten-1-al
2-hepten-1-al
2-heptyl furan
 hexanal
 hexanal butane-2,3-diol acetal
 hexanal octane-1,3-diol acetal
(Z)-3-hexen-1-yl oxyacetaldehyde
 hexyl (E)-2-hexenoate
 hexyl butyrate
alpha-hexyl cinnamaldehyde dimethyl acetal
 magnolia decadienal
 marine decadienal
 methyl 2-hexenoate
 methyl 2-methyl butyrate
 methyl laurate
(E,Z)-2,6-nonadien-1-al
2,4-nonadien-1-al
(E,Z)-3,6-nonadien-1-ol
2,4-nonadien-1-ol
 nonanal diethyl acetal
(E)-2-nonen-1-al
(E,E)-2,4-octadien-1-al
(E)-2-octen-1-al
2-octen-1-al
(E)-2-octen-1-yl acetate
 octen-1-yl cyclopentanone
 octyl isobutyrate
 orange peel oil bitter terpeneless
2,5,9-trimethyl-4,9-decadien-1-al
(Z)-8-undecen-1-al
10-undecen-1-al
 waxy aldehyde
(odor and/or flavor) used in :
 amber
 banana
 cassie acacia farnesiana
 cherry blossom
 citrus
 clean
 cloth clean cloths
 floral
 grapefruit
 herbal
 hibiscus
 honey miel
 incense
 leather russian leather
 lemon
 mandarin
 melon watermelon muskmelon cantaloupe
 milk
 nut
 orange
 orris iris
 peel
 rose
 topnotes
 tropical
 wallflower giroflee
natural occurrence in :
beef cooked beef
data pagebergamot oil @ 0.004-0.024%
data pageblood orange oil (citrus sinensis l. var. sanguinello) italy @ 0.012%
data pageblood orange oil (citrus sinensis l. var. tarocco) italy @ 0.009%
data pageblood orange oil italy @ 0.010%
data pageboronia absolute @ 0.05%
butter
data pagecabocla flower oil brazil @ 0.30%
caviar
data pagecerastium candidissimum corr. oil greece @ 9.00%
chicken
data pagecistus oil @ 0.2%
coriander leaf
data pagecoriander leaf oil @ 2.14-2.31%
data pagecoriander seed oil cuba @ 0.10%
cucumber
fish
grapefruit juice
data pagegrapefruit oil c.p. @ 0.10%
data pagegrapefruit oil c.p. russia @ 0.02%
data pagegrapefruit oil CO2 extract @ 0.09%
data pageherniaria incana lam. oil greece @ 0.90%
lamb
lemon
data pagelemon oil california @ 0.03%
data pagelime oil distilled mexico @ 0.03%
data pagelime oil distilled peru @ 0.01%
data pagelime oil expressed florida @ trace%
data pagemandarin oil uruguay @ 0.02%
data pagemikan peel oil @ 0.01%
milk
data pagenarcissus absolute @ 0.20%
data pageorange oil c.p. brazil @ 0.02-0.04%
data pageorange oil terpeneless @ 0.90%
data pageorange peel oil bitter china @ trace%
data pageorange peel oil sweet c.p. blond italy @ 0.010%
data pageorange peel oil sweet c.p. blond italy @ 0.012%
data pageorange peel oil sweet c.p. blond italy @ 0.014%
data pageorange peel oil sweet c.p. blond italy @ 0.015%
data pageorange peel oil sweet c.p. blond italy @ 0.016%
data pageorange peel oil sweet c.p. florida @ 0.01%
data pageorange peel oil sweet c.p. valencia @ 0.02%
peanut
pork
data pagestar fruit oil cuba @ trace%
data pagetangerine oil america @ 0.03%
data pagethyme oil wild or creeping pakistan @ 0.23%
data pagewitch hazel leaf oil @ 0.42%
data pagewormseed oil spain @ 0.14%
data pageyuzu leaf oil @ 0.07-0.08%



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