2-tridecen-1-al
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IUPAC name :tridec-2-enal
InChI :InChI=1/C13H24O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14/h11-13H,2-10H2,1H3
InChIKey :VMUNAKQXJLHODT-UHFFFAOYAB
SMILES :CCCCCCCCCCC=CC=O
cas number :7774-82-5
(EINECS) number :231-883-2
fema number :3082
coe number :2011
jecfa number :1359
fl. number :05.078
molar refractivity :62.52 ± 0.3 cm3
parachor :545.4 ± 4.0 cm3
index of refraction :1.446 ± 0.02
surface tension :29.4 ± 3.0 dyne/cm
density :0.838 ± 0.06 g/cm3
polarizability :24.78 ± 0.5 10-24cm3
XlogP : 5.80
molecular weight : 196.3290600
formula :C13 H24 O
NMR Predictor :Predict
 
 
export tariff code :2912.19.0000
fda reg :172.515

Suppliers :
Bedoukian Research :2-TRIDECENAL (HIGH TRANS)
≥92.0% (trans), FCC, Kosher
Odor:  A powerful odor reminiscent of cilantro or coriander
Citrus and Allied Essences :trans-2-tridecenal
Odor:  strong citrus peel waxy
Penta :trans-2-tridecenal
Robertet :Tridécénal
naturel
Sigma-Aldrich-SAFC :trans-2-Tridecenal
≥92%, FCC, Kosher
Odor:  citrus; waxy

organoleptics :
odor type :aldehydic
odor strength :high ,
recommend smelling in a 1.00 % solution or less
odor description :
at 1.00 % in dipropylene glycol.  
powerful waxy citrus peel tangerine

properties :
appearence :colorless to pale yellow clear oily liquid
assay : 92.00 to 100.00 %   sum of isomers
Food Chemicals Codex Listed :Yes
specific gravity :0.84200 to 0.86200 @ 25.00 °C.
pounds per gallon - calc. : 7.006 to 7.173
refractive index :1.45700 to 1.46000 @ 20.00 °C.
boiling point : 115.00 to 118.00 °C. @ 10.00 mm Hg
boiling point : 106.00 to 108.00 °C. @ 0.28 mm Hg
acid value : 5.00  max.  KOH/g
vapor pressure :0.40000 mm/Hg @ 20.00 °C.
flash point : 235.00  °F.  TCC  ( 112.78 °C. )
logP (o/w) : 5.30

safety :
most important hazard(s) :None - None found.
  S 02 - Keep out of the reach of children.
S 24/25 - Avoid contact with skin and eyes.
S 36 - Wear suitable protective clothing.
Oral Toxicity(LD50) :
  Oral-Rat    >5000.00  mg/kg
Food and Chemical Toxicology. Vol. 26, Pg. 411, 1988.

Oral-Mouse    >5000.00  mg/kg
Food and Chemical Toxicology. Vol. 26, Pg. 411, 1988.

Dermal Toxicity(LD50) :
  Skin-Rabbit  >5000.00  mg/kg
Food and Chemical Toxicology. Vol. 26, Pg. 411, 1988.

Skin-Guineapig  >5000.00  mg/kg
Food and Chemical Toxicology. Vol. 26, Pg. 411, 1988.

Inhalation Toxicity(LC50) :
  Not determined
 

safety in use :
 
recommendation for 2-tridecen-1-al usage levels up to :
  1.0000 % in the fragrance concentrate.
recommendation for 2-tridecen-1-al usage levels up to :
  30.0000 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 :2
 
 
 
 tridec-2-enal
(EINECS) number :231-883-2
RTECS :YD4593000 for 7774-82-5
chemidplus :007774825
EPA Substance Registry Services :7774-82-5

references :
 tridec-2-enal
fl. number :05.078
jecfa number :1359
NIST Chemistry WebBook :7774825
pubchem :11409699

Cosmetics :
Cosmetic uses : perfuming agents

other :
CosIng :cosmetic data
VCF-Online: VCF Volatile Compounds in Food
synonyms :
3-decyl acrolein
 tridec-2-enal
 tridecenal
2-tridecenal

soluble in :
 alcohol
 fixed oils
 water, very slightly

insoluble in :
 water

(odor and/or flavor) blends with :
6-acetoxydihydrotheaspirane
 ambroxan
isoamyl phenyl acetate
 amyris wood oil
para-anisaldehyde
 beeswax absolute
 benzoin resinoid
 blood orange oil
isobutyl quinoline
isobutyl quinoline
 carrot seed oil
 cassia bark oil
 cedarwood oils
 cistus oil
 citronellal
 citronellyl nitrile
 coumarin
para-cresyl caprylate
 curacao peel oil
 cyclamen aldehyde
alpha-damascone
2,4-decadien-1-ol
 decanol
9-decen-1-ol
 dihydromyrcenol
 ethyl cinnamate
 ethyl ethyl anthranilate
 ethyl laurate
 ethyl undecylenate
 ethyl vanillin
isoeugenyl acetate
 fir balsam absolute
 floral pyranol
 frankincense oil
 galbanum ketone
 galbanum oil
 geranyl nitrile
 green carbaldehyde
 guaiacwood oil
 gurjun balsam oil
 heliotropin
(Z)-3-hexen-1-yl acetate
alpha-hexyl cinnamaldehyde
 ho leaf oil
 ionones
 jasmin absolute
 labdanum resinoid
 lavender absolute
 lilyall
 lilyall / methyl anthranilate schiff's base
 lime octadienal
laevo-linalool
 mandarine undecenal
 methyl 10-undecenal
 methyl cedryl ketone
2-methyl decanal
 methyl dihydrojasmonate
 methyl ionones
 methyl laurate
 methyl octine carbonate
2-methyl undecanal
 mikan peel oil
 musk decenone
 musks
 myristic acid
 nerolidol
 nonanol
(E)-2-nonen-1-yl acetate
 ocean propanal
 octanal
 patchouli ethanone
 patchouli oil
 raspberry ketone methyl ether
 rose absolute
 rose absolute pentanol
 santall
 tangerine acetate
 tangerine nitrile
 tangerine oil
 tangerine oil terpeneless
 tetradecanal
(E)-2-tetradecen-1-al
2-tetradecen-1-al
 tonka bean absolute
gamma-undecalactone
N-/i-undecanal
(Z)-8-undecen-1-al
10-undecen-1-al
 vanilla absolute
 verymoss
 violet leaf absolute
 waxy nitrile
 ylang ylang oil

(odor and/or flavor) used in :
 acacia
 agrumen
 aldehydic
 amber
 apple blossom
 baby powder
 balsam
 bayberry
 blue grass
 bouquet
 briar sweet briar eglantine
 cassia blossom
 cherry blossom
 chypre
 cilantro
 citrus
 clary sage
 cologne
 coriander
 crabapple blossom
 dahlia
 dairy
 elder blossom
 fantasy blends
 fat chicken fat
 fir balsam
 floral
 forest pine forest
 green
 herbal
 hollyberry
 jasmin
 mandarin
 marjoram
 millefleurs
 musk
 neroli
 ocean sea
 orris iris
 patchouli
 petal waxy petal
 privet blossom
 rain
 rain spring rain
 rose
 rose tea rose
 rose white rose
 stephanotis
 tallow
 tangerine
 wallflower giroflee
 waxy
 woodruff asperula
 woody

natural occurrence in :
data pagecilantro leaf oil @ 0.05-0.08%
data pagecilantro leaf oil @ 0.05-0.09%
data pagecoriander leaf oil @ 1.83-2.53%
sunguli oil



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