methyl linoleate
 
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IUPAC name :methyl (9Z,12Z)-octadeca-9,12-dienoate
InChI :InChI=1/C19H34O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h7-8,10-11H,3-6,9,12-18H2,1-2H3/b8-7-,11-10-
InChIKey :WTTJVINHCBCLGX-NQLNTKRDBF
SMILES :CCCCC\C=C/C\C=C/CCCCCCCC(=O)OC
(EINECS) number :203-993-0
cas number :112-63-0
beilstein number :1727614
fema number :3411
coe number :713
fl. number :09.645
molar refractivity :91.96 ± 0.3 cm3
parachor :787.2 ± 4.0 cm3
index of refraction :1.464 ± 0.02
surface tension :31.2 ± 3.0 dyne/cm
density :0.884 ± 0.06 g/cm3
polarizability :36.45 ± 0.5 10-24cm3
xlogp : 6.50
molecular weight : 294.4720600
formula :C19 H34 O2
BioActivity Analysis :48414009
 
 
export tariff code :2916.15.5000
fda reg :unspecified
 

organoleptics :
odor strength :none
odor description :
at 100.00 %.  
bland

properties :
Food Chemicals Codex Listed :No
specific gravity :0.88900 @ 25.00 °C.
boiling point : 373.00 to 374.00 °C. @ 760.00 mm Hg
logp : 7.64

safety :
Oral Toxicity(LD50) : Not determined
Dermal Toxicity(LD50) : Not determined
flash point ( Deg. F. ) :> 230.00  °F.  TCC  ( > 110.00 °C. )
recommendation for methyl linoleate usage levels up to :
 not for fragrance use.

safety links :
 
 
(EINECS) number :203-993-0
chemidplus :053053513
EPA Substance Registry Services :112-63-0
NLM Chemical Carcinogenesis Research Information System :112-63-0
NLM Developmental and Reproductive Toxicity :112-63-0
NLM Env. Mutagen Info. Center :112-63-0
NLM GENetic TOXicology :112-63-0
EPI System :view

other :

references :
fl. number :09.645
pubchem :207417
synonyms :
 linoleic acid methyl ester
 methyl (Z,Z)-9,12-octadecadienoate
 methyl 9-cis,12-cis-octadecadienoate
 methyl lineoleate
 methyl linoleate
 methyl octadecadienoate
(9Z,12Z)-octadecadienoic acid methyl ester
(Z,Z)-9,12-octadecadienoic acid methyl ester

soluble in :
 alcohol
 water, 2880 mg/L @ 25C

insoluble in :
 water

(odor and/or flavor) used in :
 emollients

natural occurrence in :
data pageambrette seed oil @ 0.30%
data pagecarnation absolute @ 2.25%
data pagechampaca absolute @ 13.00%
data pagechampaca concrete @ 2.01%
data pagejasmin absolute china @ 1.64%
data pageparsley leaf oil @ 0.06%
data pagethyme oil spain @ 7.45%
data pagewitch hazel leaf oil @ 0.09%



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