mandarine undecenal
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IUPAC name :undec-9-enal
InChI :InChI=1/C11H20O/c1-2-3-4-5-6-7-8-9-10-11-12/h2-3,11H,4-10H2,1H3
InChIKey :ZFMUIJVOIVHGCF-UHFFFAOYAC
SMILES :CC=CCCCCCCCC=O
cas number :143-14-6
(EINECS) number :205-586-3
fema number :3094
coe number :123
jecfa number :329
fl. number :05.036
molar refractivity :53.25 ± 0.3 cm3
parachor :465.8 ± 4.0 cm3
index of refraction :1.442 ± 0.02
surface tension :28.8 ± 3.0 dyne/cm
density :0.837 ± 0.06 g/cm3
polarizability :21.11 ± 0.5 10-24cm3
XlogP : 4.70
molecular weight : 168.2759000 (IUPAC)
formula :C11 H20 O
NMR Predictor :Predict
 
 
export tariff code :unspecified
fda reg :172.515

Suppliers :
Firmenich :ALDEHYDE SUPRA
≥78%
Odor:  Strongly aldehydic, mandarine-citrus-waxy, floral note.
Vigon :Aldehyde Supra

organoleptics :
odor type :aldehydic
odor strength :high ,
recommend smelling in a 1.00 % solution or less
odor description :
at 1.00 % in dipropylene glycol.  
aldehydic mandarine citrus waxy floral
substantivity :78 hour(s) at 100.00 %

properties :
appearence :colorless clear liquid
assay : 98.00 to 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.84600 to 0.85200 @ 25.00 °C.
pounds per gallon - calc. : 7.040 to 7.089
refractive index :1.44300 to 1.44700 @ 20.00 °C.
boiling point : 239.00 to 240.00 °C. @ 760.00 mm Hg
acid value : 5.00  max.  KOH/g
vapor pressure :1.00000 mm/Hg @ 20.00 °C.
flash point : 176.00  °F.  TCC  ( 80.00 °C. )
logP (o/w) : 4.11

safety :
Oral Toxicity(LD50) :
  Oral-Rat    5010.00  mg/kg

Dermal Toxicity(LD50) :
  Not determined
Inhalation Toxicity(LC50) :
  Not determined
 

safety in use :
Maximised Survey-derived Daily Intakes (MSDI-EU) :0.97 (μg/capita/day)
 
recommendation for mandarine undecenal usage levels up to :
  1.0000 % in the fragrance concentrate.
recommendation for mandarine undecenal usage levels up to :
  5.0000 ppm in the flavor.

safety references :
European Food Safety Athority(efsa) :Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies...
EPI System :view
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
 
 
 
 undec-9-enal
(EINECS) number :205-586-3
chemidplus :001337833
EPA Substance Registry Services :143-14-6

references :
 undec-9-enal
fl. number :05.036
jecfa number :329
NIST Chemistry WebBook :143146
pubchem :679536

Cosmetics :
Cosmetic uses : perfuming agents

other :
CosIng :cosmetic data
VCF-Online: VCF Volatile Compounds in Food
synonyms :
 aldehyde supra
 hendecen-9-al
 undec-9-enal
9-undecen-1-al
9-undecenal
9-undecylenic aldehyde

soluble in :
 alcohol

insoluble in :
 water

(odor and/or flavor) blends with :
 acetyl nonyryl
 aldehydic nitrile
isobutyl quinoline
isobutyl quinoline
 citronellal
 citronellyl nitrile
 coumarin
 cyclamen aldehyde
alpha-damascone
2,4-decadien-1-ol
 decanal diethyl acetal
(Z)-7-decen-1-al
 dihydromyrcenol
(E,Z)-2,6-dodecadien-1-al
(E)-2-dodecen-1-al
(Z)-4-dodecen-1-al
 ethyl methyl anthranilate
 galbanum ketone
 geranyl nitrile
 geranyl oxyacetaldehyde
 green carbaldehyde
(Z)-3-hexen-1-yl acetate
(Z)-3-hexen-1-yl oxyacetaldehyde
alpha-hexyl cinnamaldehyde
 lilyall
 lilyall / methyl anthranilate schiff's base
 lime octadienal
 mandarin oil italy
 marine decadienal
 methyl 10-undecenal
 methyl cedryl ketone
2-methyl decanal
2-methyl undecanal
 mikan peel oil
 muguet butanal
 musk decenone
 nonanal
(E)-2-nonen-1-al
(E)-2-nonen-1-yl acetate
 nonyl anthranilate
 octanal
 patchouli oil
 petitgrain mandarin oil terpeneless
 rose absolute pentanol
alpha-sinensal
(E)-2-tetradecen-1-al
2-tetradecen-1-al
 tmh aldehyde
(E)-2-tridecen-1-al
2-tridecen-1-al
 undecanal
N-/i-undecanal
(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 :
 aldehydic
 citrus
 clary sage
 jasmin
 mandarin
 neroli
 orris iris
 waxy

natural occurrence in :
found in nature



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