pentadecanal
 
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IUPAC name :pentadecanal
InChI :InChI=1/C15H30O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16/h15H,2-14H2,1H3
InChIKey :XGQJZNCFDLXSIJ-UHFFFAOYAI
SMILES :CCCCCCCCCCCCCCC=O
(EINECS) number :220-435-1
cas number :2765-11-9
molar refractivity :71.72 ± 0.3 cm3
parachor :637.8 ± 4.0 cm3
index of refraction :1.437 ± 0.02
surface tension :29.5 ± 3.0 dyne/cm
density :0.827 ± 0.06 g/cm3
polarizability :28.43 ± 0.5 10-24cm3
xlogp : 6.10
molecular weight : 226.3981000
formula :C15 H30 O
 
 
export tariff code :unspecified
fda reg :unspecified
 

organoleptics :
odor strength :medium
odor description :
at 100.00 %.  
fresh waxy

properties :
assay : 97.00 to 100.00 %   
Food Chemicals Codex Listed :No
melting point : 24.00 to 25.00 °C. @ 760.00 mm Hg
boiling point : 284.00 to 286.00 °C. @ 760.00 mm Hg
logp : 6.75

safety :
Oral Toxicity(LD50) : Not determined
Dermal Toxicity(LD50) : Not determined
flash point ( Deg. F. ) : 266.00  °F.  TCC  ( 130.00 °C. )
recommendation for pentadecanal usage levels up to :
  4.0000 % in the fragrance concentrate.

safety references :
EPI System :view
 
 
 pentadecanal
(EINECS) number :220-435-1
chemidplus :002765119
EPA Substance Registry Services :2765-11-9
NLM Chemical Carcinogenesis Research Information System :2765-11-9
NLM Developmental and Reproductive Toxicity :2765-11-9
NLM Env. Mutagen Info. Center :2765-11-9
NLM GENetic TOXicology :2765-11-9

references :
 pentadecanal
pubchem :160835
NIST Chemistry WebBook :2527846799

other :
synonyms :
 pentadecanal
1-pentadecanal

soluble in :
 alcohol

insoluble in :
 water

natural occurrence in :
data pagecistus oil @ 0.1%
data pagecoriander leaf oil @ 0.47-0.61%
data pagestar fruit oil cuba @ 0.10%
data pagewitch hazel leaf oil @ 0.13%



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