6-methyl-3-heptanol
 
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IUPAC name :6-methylheptan-3-ol
InChI :InChI=1/C8H18O/c1-4-8(9)6-5-7(2)3/h7-9H,4-6H2,1-3H3
InChIKey :MNBIBGDICHMQFN-UHFFFAOYAO
SMILES :CCC(CCC(C)C)O
(EINECS) number :242-532-8
cas number :18720-66-6
molar refractivity :40.56 ± 0.3 cm3
parachor :361.9 ± 4.0 cm3
index of refraction :1.424 ± 0.02
surface tension :26.9 ± 3.0 dyne/cm
density :0.819 ± 0.06 g/cm3
polarizability :16.08 ± 0.5 10-24cm3
xlogp : 2.70
molecular weight : 130.2279200
formula :C8 H18 O
 
 
export tariff code :unspecified
fda reg :unspecified
 

organoleptics :

properties :
appearence :coloress clear liquid
assay : 96.00 to 100.00 %   
Food Chemicals Codex Listed :No
melting point : -61.00 to -59.00 °C. @ 760.00 mm Hg
boiling point : 170.00 to 171.00 °C. @ 760.00 mm Hg
logp : 2.66

safety :
Oral Toxicity(LD50) : Not determined
Dermal Toxicity(LD50) : Not determined
flash point ( Deg. F. ) : 148.00  °F.  TCC  ( 64.44 °C. )

safety references :
EPI System :view
 
 
 6-methylheptan-3-ol
(EINECS) number :242-532-8
chemidplus :018720666
EPA Substance Registry Services :18720-66-6
NLM Chemical Carcinogenesis Research Information System :18720-66-6
NLM Developmental and Reproductive Toxicity :18720-66-6
NLM Env. Mutagen Info. Center :18720-66-6
NLM GENetic TOXicology :18720-66-6

references :
 6-methylheptan-3-ol
pubchem :663633
NIST Chemistry WebBook :1277515546

other :
synonyms :
 ethyl isoamyl carbinol
6-methyl heptan-3-ol
6-methyl-3-heptanol

soluble in :
 alcohol
 water, 1540 mg/L @ 25C

natural occurrence in :
data pagelemon verbena oil turkey @ 0.01%
data pagemarjoram oil sweet turkey @ 0.04-0.09%
data pagemarjoram pot oil turkey @ 0.00-0.06%



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