(Z+E)-para-1(7)8-menthadien-2-yl acetate
 
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IUPAC name :(2-methylidene-5-prop-1-en-2-ylcyclohexyl) acetate
InChI :InChI=1/C12H18O2/c1-8(2)11-6-5-9(3)12(7-11)14-10(4)13/h11-12H,1,3,5-7H2,2,4H3
InChIKey :CCLNPVCMIJDJLR-UHFFFAOYAK
SMILES :O=C(OC1C(=C)\CCC(\C(=C)C)C1)C
cas number :71660-03-2
fema number :3848
jecfa number :1098
fl. number :09.930
molar refractivity :56.45 ± 0.4 cm3
parachor :473.3 ± 6.0 cm3
index of refraction :1.468 ± 0.03
surface tension :29.5 ± 5.0 dyne/cm
density :0.95 ± 0.1 g/cm3
polarizability :22.37 ± 0.5 10-24cm3
xlogp : 2.50
molecular weight : 194.2701200
formula :C12 H18 O2
 
 
export tariff code :unspecified
fda reg :unspecified
 

organoleptics :
odor type :minty
odor strength :medium
odor description :
at 100.00 %.  
minty spearmint

properties :
appearence :colorless clear liquid
assay : 95.00 to 100.00 %   sum of isomers
Food Chemicals Codex Listed :No
specific gravity :0.96400 to 0.97000 @ 25.00 °C.
pounds per gallon - calc. : 8.021 to 8.071
refractive index :1.47300 to 1.47900 @ 0.00 °C.
boiling point : 77.00 to 79.00 °C. @ 0.10 mm Hg
acid value : 1.00  max.  KOH/g
logp : 3.39

safety :
Oral Toxicity(LD50) : Not determined
Dermal Toxicity(LD50) : Not determined
flash point ( Deg. F. ) : 198.00  °F.  TCC  ( 92.22 °C. )
recommendation for (Z+E)-para-1(7)8-menthadien-2-yl acetate usage levels up to :
 not for fragrance use.

safety links :
 
 
chemidplus :71660-03-2
EPA Substance Registry Services :71660-03-2
NLM Chemical Carcinogenesis Research Information System :71660-03-2
NLM Developmental and Reproductive Toxicity :71660-03-2
NLM Env. Mutagen Info. Center :71660-03-2
NLM GENetic TOXicology :71660-03-2
EPI System :view

other :

references :
jecfa number :1098
fl. number :09.930
pubchem :10540655
NIST Chemistry WebBook :954382460
synonyms :
 acetic acid para-1(7),8-menthadien-2-yl ester
para-mentha-1(7),8-dien-2-yl acetate
(Z+E)-para-1(7)8-menthadien-2-yl acetate
 menthadienyl acetate

soluble in :
 alcohol

insoluble in :
 water

stability :

(odor and/or flavor) blends with :
(E)-carveol
laevo-carveol
laevo-carvone
(Z)-carvone-5,6-oxide
 carvyl acetate
 dihydrocarveol
dextro-dihydrocarvone
 dill seed oil
 mint lactone
 spearmint absolute
 spearmint oil
 spearmint oil terpeneless
 tetrahydrocarvone

(odor and/or flavor) used in :
 herbal
 mint
 spearmint
 wintergreen

natural occurrence in :
not found in nature



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