(Z)-gamma-bisabolene 13062-00-5

(Z)-gamma-bisabolene

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IUPAC name :

(4Z)-1-methyl-4-(6-methylhept-5-en-2-ylidene)cyclohexene

InChI :

InChI=1/C15H24/c1-12(2)6-5-7-14(4)15-10-8-13(3)9-11-15/h6,8H,5,7,9-11H2,1-4H3/b15-14+

InChIKey :

XBGUIVFBMBVUEG-CCEZHUSRBG

SMILES :

CC1=CC/C(=C(/C)\CCC=C(C)C)/CC1

cas number :	13062-00-5
molar refractivity :	68.52 ± 0.3 cm3
parachor :	549.2 ± 6.0 cm3
index of refraction :	1.493 ± 0.02
surface tension :	29.5 ± 3.0 dyne/cm
density :	0.867 ± 0.06 g/cm3
polarizability :	27.16 ± 0.5 10-24cm3
XlogP :	4.00
XlogP3-AA :	4.70
molecular weight :	204.3510600 (IUPAC)
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 :

280.00 to 281.00 °C. @ 760.00 mm Hg

flash point :

234.00 °F. TCC ( 112.22 °C. )

logP (o/w) :

6.70

safety :

Oral Toxicity(LD50) :

Not determined

Dermal Toxicity(LD50) :

Not determined

Inhalation Toxicity(LC50) :

Not determined

safety in use :

safety references :

(4Z)-1-methyl-4-(6-methylhept-5-en-2-ylidene)cyclohexene

chemidplus :

000495625

EPA Substance Registry Services :

13062-00-5

references :

(4Z)-1-methyl-4-(6-methylhept-5-en-2-ylidene)cyclohexene

NIST Chemistry WebBook :

2051610372

pubchem :

203630

other :

VCF-Online:

VCF Volatile Compounds in Food

synonyms :
cis-gamma-	bisabolene
(4Z)-1-	methyl-4-(6-methylhept-5-en-2-ylidene)cyclohexene
soluble in :
	alcohol
insoluble in :
	water
natural occurrence in :
data page	ayou wood oil @ 0.50%
data page	bergamot oil @ 0.000-0.010%
data page	guava fruit oil reunion @ 0.10%
data page	guava leaf oil cuba @ 0.20%
data page	helichrysum italicum oil america @ 0.07%
data page	lemon oil expressed italy @ 0.50%
data page	lime oil distilled mexico @ 0.04%
data page	lime oil distilled peru @ 0.01%
data page	mikania cordata (burm. f.) b.l. robinson var. cordata leaf oil france @ 0.50%
data page	rue oil cuba @ 0.77%

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