bulnesol 22451-73-6

bulnesol

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IUPAC name :

2-(3,8-dimethyl-1,2,3,3a,4,5,6,7-octahydroazulen-5-yl)propan-2-ol

InChI :

InChI=1/C15H26O/c1-10-5-7-12(15(3,4)16)9-14-11(2)6-8-13(10)14/h11-12,14,16H,5-9H2,1-4H3

InChIKey :

LGOFSGDSFQNIAT-UHFFFAOYAZ

SMILES :

CC1CCC2=C(CCC(CC12)C(C)(C)O)C

cas number :	22451-73-6
molar refractivity :	68.33 ± 0.4 cm3
parachor :	559.1 ± 6.0 cm3
index of refraction :	1.502 ± 0.03
surface tension :	34.1 ± 5.0 dyne/cm
density :	0.96 ± 0.1 g/cm3
polarizability :	27.09 ± 0.5 10-24cm3
XlogP :	4.10
XlogP3-AA :	2.90
molecular weight :	222.3663400 (IUPAC)
formula :	C15 H26 O
pherobase floral:	view
NMR Predictor :	Predict

export tariff code :

3302.90.0010

fda reg :

unspecified

Suppliers :

Nanjing :

bulnesol
orders in chinese only.

organoleptics :

odor strength :

medium

odor description:
at 100.00 %.

spicy

properties :

assay :

96.00 to 100.00 %

Food Chemicals Codex Listed :

specific gravity :

0.93890 @ 70.00 °C.

refractive index :

1.48915 @ 70.00 °C.

melting point :

69.00 to 70.00 °C. @ 760.00 mm Hg

boiling point :

136.00 to 138.00 °C. @ 760.00 mm Hg

flash point :

240.00 °F. TCC ( 115.56 °C. )

logP (o/w) :

4.73

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 bulnesol fragrance usage levels up to :

not for fragrance use.

recommendation for bulnesol flavor usage levels up to :

not for flavor use.

safety references :

EPI System :

view

Canada Domestic Sub. List :

Yes

EPA Chem. Sub. Inventory :

Yes

2-(3,8-dimethyl-1,2,3,3a,4,5,6,7-octahydroazulen-5-yl)propan-2-ol

chemidplus :

022451736

EPA Substance Registry Services :

22451-73-6

references :

2-(3,8-dimethyl-1,2,3,3a,4,5,6,7-octahydroazulen-5-yl)propan-2-ol

NIST Chemistry WebBook :

pubchem :

other :

VCF-Online:

VCF Volatile Compounds in Food

synonyms :
	bulensol
2-(3,8-	dimethyl-1,2,3,3a,4,5,6,7-octahydroazulen-5-yl)propan-2-ol
	guai-1(10)-en-11-ol
(3S-(3alpha, 3abeta,5alpha))- alpha,alpha,3,8-	tetramethyl-1,2,3,3a,4,5,6,7-octahydro-5-azulene methanol
(3S,3aS,5R)- alpha,alpha,3,8-	tetramethyl-1,2,3,3a,4,5,6,7-octahydro-5-azulene methanol
soluble in :
	alcohol
insoluble in :
	water
potential uses :
	woody
natural occurrence in : note
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