cascarilladiene 59742-39-1

cascarilladiene

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IUPAC name :

3,3a,6-trimethyl-1-propan-2-yl-1,2,3,4-tetrahydroindene

InChI :

InChI=1/C15H24/c1-10(2)13-9-12(4)15(5)7-6-11(3)8-14(13)15/h6,8,10,12-13H,7,9H2,1-5H3

InChIKey :

IVBZYUKCNLJUDA-UHFFFAOYAU

SMILES :

CC1CC(C2=CC(=CCC12C)C)C(C)C

cas number :	59742-39-1
molar refractivity :	66.71 ± 0.4 cm3
parachor :	529.7 ± 6.0 cm3
index of refraction :	1.499 ± 0.03
surface tension :	29.6 ± 5.0 dyne/cm
density :	0.89 ± 0.1 g/cm3
polarizability :	26.44 ± 0.5 10-24cm3
xlogp :	4.30
molecular weight :	204.3510600
formula :	C15 H24

export tariff code :

unspecified

fda reg :

unspecified

organoleptics :

properties :

assay :

90.00 to 100.00 %

Food Chemicals Codex Listed :

boiling point :

266.00 to 267.00 °C. @ 760.00 mm Hg

logp :

6.42

safety :

Oral Toxicity(LD50) :

Not determined

Dermal Toxicity(LD50) :

Not determined

flash point ( Deg. F. ) :

219.00 °F. TCC ( 103.89 °C. )

safety links :

chemidplus :

59742-39-1

EPA Substance Registry Services :

59742-39-1

NLM Chemical Carcinogenesis Research Information System :

59742-39-1

NLM Developmental and Reproductive Toxicity :

59742-39-1

NLM Env. Mutagen Info. Center :

59742-39-1

NLM GENetic TOXicology :

59742-39-1

EPI System :

view

other :

references :

pubchem :

10384280

synonyms :
	cascarilladiene
1-iso	propyl-3,3a,6-trimethyl-2,3,3a,4-tetrahydro-1H-indene
soluble in :
	alcohol
insoluble in :
	water
natural occurrence in :
data page	calamus root oil @ 1.43%
data page	cascarilla bark oil @ 4.62%

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