tmh aldehyde
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IUPAC name :2,3,5,5-tetramethylhexanal
InChI :InChI=1/C10H20O/c1-8(9(2)7-11)6-10(3,4)5/h7-9H,6H2,1-5H3
InChIKey :COJYJCJUBHUSDJ-UHFFFAOYAG
SMILES :CC(CC(C)(C)C)C(C)C=O
cas number :68391-29-7
(EINECS) number :269-940-9
molar refractivity :48.44 ± 0.3 cm3
parachor :428.7 ± 4.0 cm3
index of refraction :1.419 ± 0.02
surface tension :25.0 ± 3.0 dyne/cm
density :0.815 ± 0.06 g/cm3
polarizability :19.20 ± 0.5 10-24cm3
XlogP : 4.20
molecular weight : 156.2652000
formula :C10 H20 O
NMR Predictor :Predict
 
 
export tariff code :unspecified
fda reg :unspecified
organoleptics :
odor strength :high ,
recommend smelling in a 10.00 % solution or less
odor description :
at 10.00 % in dipropylene glycol.  		similar to nonanal but with a more modern, more floral and less citric note
substantivity :168  Hour(s)
properties :
appearence :colorless to pale yellow clear liquid
assay : 98.00 to 100.00 %   
Food Chemicals Codex Listed :No
boiling point : 193.00 to 194.00 °C. @ 760.00 mm Hg
flash point : 149.00  °F.  TCC  ( 65.00 °C. )
logP (o/w) : 3.36
safety :
most important hazard(s) :Xi - Irritant
  R 36/38 - Irritating to skin and eyes.
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.
Oral Toxicity(LD50) :
  Not determined
Dermal Toxicity(LD50) :
  Not determined
Inhalation Toxicity(LC50) :
  Not determined
 
safety in use :
 
recommendation for tmh aldehyde usage levels up to :
  1.0000 % in the fragrance concentrate.
recommendation for tmh aldehyde usage levels up to :
 not for flavor use.
safety references :
EPI System :view
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
 
WGK Germany :2
 
 
 
 2,3,5,5-tetramethylhexanal
(EINECS) number :269-940-9
chemidplus :068391297
EPA Substance Registry Services :68391-29-7
references :
 2,3,5,5-tetramethylhexanal
pubchem :686664
Cosmetics :
Cosmetic uses : perfuming agents
other :
CosIng :cosmetic data
synonyms :
 tetramethyl hexanal
2,3,5,5-tetramethyl hexanal
2,3,5,5-tetramethylhexanal
soluble in :
 alcohol
insoluble in :
 water
(odor and/or flavor) blends with :
 aldehydic nitrile
 citronellyl oxyacetaldehyde
 citrus carbaldehyde
 coriander leaf oil
(Z)-7-decen-1-al
2-decen-1-al
(Z)-4-dodecen-1-al
 flower hexene
(Z)-3-hexen-1-yl oxyacetaldehyde
 magnolia decadienal
 marine decadienal
 nonanal diethyl acetal
(E)-2-nonen-1-al
 orange peel oil bitter terpeneless
2,5,9-trimethyl-4,9-decadien-1-al
 undecanal
(Z)-8-undecen-1-al
10-undecen-1-al
 waxy aldehyde
(odor and/or flavor) used in :
 aldehydic
 citrus
 floral
natural occurrence in :
not found in nature



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