chamazulene
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IUPAC name :7-ethyl-1,4-dimethylazulene
InChI :InChI=1/C14H16/c1-4-12-7-5-10(2)13-8-6-11(3)14(13)9-12/h5-9H,4H2,1-3H3
InChIKey :GXGJIOMUZAGVEH-UHFFFAOYAM
SMILES :CCC1=CC2=C(C=CC2=C(C=C1)C)C
cas number :529-05-5
(EINECS) number :208-449-6
beilstein number :1306577
molar refractivity :63.29 ± 0.3 cm3
parachor :462.9 ± 4.0 cm3
index of refraction :1.584 ± 0.02
surface tension :36.0 ± 3.0 dyne/cm
density :0.975 ± 0.06 g/cm3
polarizability :25.09 ± 0.5 10-24cm3
XlogP : 5.10
XlogP3-AA : 4.40
molecular weight : 184.2768400 (IUPAC)
formula :C14 H16
NMR Predictor :Predict
 
 
export tariff code :unspecified
fda reg :unspecified

Suppliers :
Nanjing :chamazulene
orders in chinese only.

organoleptics :

properties :
appearence :bluish green clear liquid
assay : 97.00 to 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.98810 @ 25.00 °C.
boiling point : 159.00 °C. @ 11.00 mm Hg
boiling point : 298.00 to 300.00 °C. @ 760.00 mm Hg
flash point : 279.00  °F.  TCC  ( 137.22 °C. )
logP (o/w) : 5.51

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

safety in use :
Category :natural substances and extractives
 
recommendation for chamazulene fragrance usage levels up to :
 not for fragrance use.
recommendation for chamazulene flavor usage levels up to :
 not for flavor use.

safety references :
EPI System :view
Cancer Citations :Search
Toxicology Citations :Search
 
 
 
 
7-ethyl-1,4-dimethylazulene
(EINECS) number :208-449-6
chemidplus :000529055
EPA Substance Registry Services :529-05-5

references :
 
7-ethyl-1,4-dimethylazulene
NIST Chemistry WebBook :2776060162
pubchem :154020

Cosmetics :
Cosmetic uses : skin conditioning

other :
CosIng :cosmetic data
VCF-Online: VCF Volatile Compounds in Food
synonyms :
 camazulene
 dimethulene
1,4-dimethyl-7-(1-methylethyl) azulene
1,4-dimethyl-7-ethyl azulene
7-ethyl-1,4-dimethyl azulene
7-ethyl-1,4-dimethylazulene
 lindazulene

soluble in :
 alcohol

insoluble in :
 water

potential uses :
 skin conditioning

natural occurrence in :    note
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