beta-acoradiene 28477-64-7

beta-acoradiene

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IUPAC name :

(1R)-1,8-dimethyl-4-prop-1-en-2-ylspiro[4.5]dec-7-ene

InChI :

InChI=1/C15H24/c1-11(2)14-6-5-13(4)15(14)9-7-12(3)8-10-15/h7,13-14H,1,5-6,8-10H2,2-4H3/t13-,14?,15?/m1/s1

InChIKey :

DVBSKQAFCDJNSL-WLYUNCDWBN

SMILES :

C[C@@H]1CCC(C12CCC(=CC2)C)C(=C)C

cas number :	28477-64-7
molar refractivity :	66.59 ± 0.4 cm3
parachor :	533.3 ± 6.0 cm3
index of refraction :	1.494 ± 0.03
surface tension :	29.7 ± 5.0 dyne/cm
density :	0.89 ± 0.1 g/cm3
polarizability :	26.40 ± 0.5 10-24cm3
XlogP :	4.50
XlogP3-AA :	5.10
molecular weight :	204.3510600
formula :	C15 H24
NMR Predictor :	Predict

export tariff code :

unspecified

fda reg :

unspecified

organoleptics :

properties :

assay :

95.00 to 100.00 %

Food Chemicals Codex Listed :

boiling point :

272.00 to 274.00 °C. @ 760.00 mm Hg

flash point :

225.00 °F. TCC ( 107.22 °C. )

logP (o/w) :

6.31

safety :

Oral Toxicity(LD50) :

Not determined

Dermal Toxicity(LD50) :

Not determined

Inhalation Toxicity(LC50) :

Not determined

safety in use :

safety references :

EPI System :

view

(1R)-1,8-dimethyl-4-prop-1-en-2-ylspiro[4.5]dec-7-ene

chemidplus :

28477-64-7

EPA Substance Registry Services :

28477-64-7

references :

(1R)-1,8-dimethyl-4-prop-1-en-2-ylspiro[4.5]dec-7-ene

NIST Chemistry WebBook :

3382606175

pubchem :

28477-64-7

other :

VCF-Online:

VCF Volatile Compounds in Food

synonyms :
3,11-	acoradiene
(1R)-1,8-	dimethyl-4-prop-1-en-2-ylspiro[4.5]dec-7-ene
soluble in :
	alcohol
insoluble in :
	water
natural occurrence in :
data page	amyris wood oil @ 1.00%
data page	cedarwood oil china @ 0.30%
data page	cedarwood oil texas @ 0.60%
data page	cedarwood oil virginia @ 0.30%

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