acolamone
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IUPAC name :(2S,4aR)-4a-methyl-8-methylidene-2-propan-2-yl-3,4,5,6,7,8a-hexahydro-2H-naphthalen-1-one
InChI :InChI=1/C15H24O/c1-10(2)12-7-9-15(4)8-5-6-11(3)13(15)14(12)16/h10,12-13H,3,5-9H2,1-2,4H3/t12-,13u,15+/m0/s1
InChIKey :TYQALBNCJWAILN-RMTCENKZBF
SMILES :CC(C)[C@@H]1CC[C@]2(CCCC(=C)C2C1=O)C
cas number :39012-14-1
molar refractivity :67.00 ± 0.4 cm3
parachor :552.5 ± 6.0 cm3
index of refraction :1.487 ± 0.03
surface tension :31.6 ± 5.0 dyne/cm
density :0.94 ± 0.1 g/cm3
polarizability :26.56 ± 0.5 10-24cm3
XlogP : 4.20
XlogP3-AA : 4.20
molecular weight : 220.3504600 (IUPAC)
formula :C15 H24 O
NMR Predictor :Predict
 
 
export tariff code :unspecified
fda reg :unspecified

Suppliers :
Nanjing :Acolamone
orders in chinese only.

organoleptics :

properties :
assay : 95.00 to 100.00 %   
Food Chemicals Codex Listed :No
boiling point : 297.00 to 298.00 °C. @ 760.00 mm Hg
flash point : 251.00  °F.  TCC  ( 121.67 °C. )
logP (o/w) : 4.44

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 acolamone fragrance usage levels up to :
 not for fragrance use.
recommendation for acolamone flavor usage levels up to :
 not for flavor use.

safety references :
EPI System :view
 
 
 
 
(2S,4aR)-4a-methyl-8-methylidene-2-propan-2-yl-3,4,5,6,7,8a-hexahydro-2H-naphthalen-1-one
chemidplus :39012-14-1
EPA Substance Registry Services :39012-14-1

references :
 
(2S,4aR)-4a-methyl-8-methylidene-2-propan-2-yl-3,4,5,6,7,8a-hexahydro-2H-naphthalen-1-one
NIST Chemistry WebBook :39012141
pubchem :39290764

other :
VCF-Online: VCF Volatile Compounds in Food
synonyms :
4(15)-eudesmen-6-one
(2S,4aR)-4a-methyl-8-methylidene-2-propan-2-yl-3,4,5,6,7,8a-hexahydro-2H-naphthalen-1-one
4(15)-selinen-6-one

Similar Products:    note
isoacolamone

soluble in :
 alcohol

insoluble in :
 water

stability :

natural occurrence in :    note
data pagecalamus leaf oil @ 1.61% S
data pagecalamus rhizome oil @ 3.09% S
data pagecalamus root oil @ 0.33% S

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