calamenene 483-77-2

calamenene

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IUPAC name :

(1S,4S)-1,6-dimethyl-4-propan-2-yl-1,2,3,4-tetrahydronaphthalene

InChI :

InChI=1/C15H22/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h5,7,9-10,12-13H,6,8H2,1-4H3/t12-,13-/m0/s1

InChIKey :

PGTJIOWQJWHTJJ-STQMWFEEBC

SMILES :

C[C@H]1CC[C@H](C2=C1C=CC(=C2)C)C(C)C

cas number :	483-77-2
molar refractivity :	66.43 ± 0.3 cm3
parachor :	525.0 ± 6.0 cm3
index of refraction :	1.503 ± 0.02
surface tension :	29.8 ± 3.0 dyne/cm
density :	0.900 ± 0.06 g/cm3
polarizability :	26.33 ± 0.5 10-24cm3
XlogP :	6.00
XlogP3-AA :	5.10
molecular weight :	202.3351800 (IUPAC)
formula :	C15 H22
NMR Predictor :	Predict

export tariff code :

unspecified

fda reg :

unspecified

Suppliers :

Nanjing :

1,2,3,4-tetrahydro-4-isopropyl-1,6-dimethylnaphthalene

organoleptics :

odor strength :

medium

odor description :
at 100.00 %.

herb spice

properties :

assay :

95.00 to 100.00 %

Food Chemicals Codex Listed :

boiling point :

285.00 to 286.00 °C. @ 760.00 mm Hg

flash point :

257.00 °F. TCC ( 125.00 °C. )

logP (o/w) :

6.23

safety :

Oral Toxicity(LD50) :

Not determined

Dermal Toxicity(LD50) :

Not determined

Inhalation Toxicity(LC50) :

Not determined

safety in use :

recommendation for calamenene usage levels up to :

5.0000 % in the fragrance concentrate.

safety references :

EPI System :

view

(1S,4S)-1,6-dimethyl-4-propan-2-yl-1,2,3,4-tetrahydronaphthalene

chemidplus :

000483772

EPA Substance Registry Services :

483-77-2

references :

(1S,4S)-1,6-dimethyl-4-propan-2-yl-1,2,3,4-tetrahydronaphthalene

NIST Chemistry WebBook :

203024003

pubchem :

10523840

other :

VCF-Online:

VCF Volatile Compounds in Food

synonyms :
	cadina-1,3,5-triene
(-)-	calamenene
(1S,4S)-1,6-	dimethyl-4-propan-2-yl-1,2,3,4-tetrahydronaphthalene
(1S,4S)-4-iso	propyl-1,6-dimethyl-1,2,3,4-tetrahydronaphthalene
soluble in :
	alcohol
insoluble in :
	water
natural occurrence in :
data page	artemisia campestris spp. glutinosa flower oil italy @ 0.20%
data page	bay leaf oil clove @ 0.2%
data page	cajuput oil vietnam @ trace%
data page	calamus leaf oil @ 0.10%
data page	calamus rhizome oil @ 14.70%
data page	calamus root oil @ 3.15%
data page	cascarilla bark oil @ 0.11%
data page	cedrela wood oil @ 0.70%
data page	cinnamomum fragrans baillon leaf oil madagascar @ 0.70%
data page	cubeb oil @ trace%
data page	galangal root oil @ 0.21%
data page	geranium leaf oil india @ 0.29%
data page	geranium petiole oil india @ 0.06%
data page	geranium stem oil india @ 0.35%
data page	guava fruit oil reunion @ 1.40%
data page	hinoki leaf oil @ 0.41%
data page	hinoki root oil @ 1.55%
data page	hinoki wood oil @ 0.03%
data page	laurel leaf oil turkey @ 0.10%
data page	layana oil wild zimbabwe @ 0.10-0.90%
data page	layana oil zimbabwe @ 0.1%
data page	manuka var. scoparium oil new zealand @ 14.42%
data page	marjoram oil sweet cyprus @ 0.10-0.30%
data page	marjoram pot oil turkey @ 0.00-0.03%
data page	mastic fruit oil @ 0.41%
data page	oregano oil mexico @ 0.06%
data page	pepper tree berry oil @ 0.28%
data page	pepper tree leaf oil @ 0.93%
data page	petitgrain combava oil @ trace%
data page	phoebe oil brazil @ 1.47%
data page	pine needle oil dwarf @ 0.13%
data page	pinus sylvestris l. needle oil estonia @ 0.20%
data page	polyalthia australis (benth.) jessup leaf oil australia @ 0.30%
data page	rosemary oil CO2 extract @ 0.15%
data page	sugandha kokila berry oil @ 0.30%
data page	tea tree oil australia @ 0.27%

information only - not sold by The Good Scents Company.

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