para-menthatriene
 
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IUPAC name :1-methyl-4-prop-1-en-2-ylcyclohexa-1,3-diene
InChI :InChI=1/C10H14/c1-8(2)10-6-4-9(3)5-7-10/h4,6H,1,5,7H2,2-3H3
InChIKey :XNMPFDIYAMOYRM-UHFFFAOYAV
SMILES :CC1=CC=C(CC1)C(=C)C
cas number :18368-95-1
molar refractivity :44.95 ± 0.3 cm3
parachor :354.1 ± 6.0 cm3
index of refraction :1.493 ± 0.02
surface tension :27.5 ± 3.0 dyne/cm
density :0.868 ± 0.06 g/cm3
polarizability :17.82 ± 0.5 10-24cm3
xlogp : 3.40
molecular weight : 134.2181600
formula :C10 H14
 
 
export tariff code :unspecified
fda reg :unspecified
 

organoleptics :
odor strength :medium ,
recommend smelling in a 10.00 % solution or less
odor description :
at 100.00 %.  
turpentine

properties :
assay : 95.00 to 100.00 %   
Food Chemicals Codex Listed :No
boiling point : 196.00 to 197.00 °C. @ 760.00 mm Hg
logp : 4.11

safety :
Oral Toxicity(LD50) : Not determined
Dermal Toxicity(LD50) : Not determined
flash point ( Deg. F. ) : 130.00  °F.  TCC  ( 54.44 °C. )
recommendation for para-menthatriene usage levels up to :
  2.0000 % in the fragrance concentrate.

safety references :
EPI System :view
 
 
 1-methyl-4-prop-1-en-2-ylcyclohexa-1,3-diene
chemidplus :018368951
EPA Substance Registry Services :18368-95-1
NLM Chemical Carcinogenesis Research Information System :18368-95-1
NLM Developmental and Reproductive Toxicity :18368-95-1
NLM Env. Mutagen Info. Center :18368-95-1
NLM GENetic TOXicology :18368-95-1

references :
 1-methyl-4-prop-1-en-2-ylcyclohexa-1,3-diene
pubchem :754187
NIST Chemistry WebBook :3090829590

other :
synonyms :
para-mentha-1,3,8-triene
1,3,8-para-menthatriene
para-menthatriene
1-isopropenyl-4-methyl cyclohexa-1,3-diene

soluble in :
 alcohol

insoluble in :
 water

(odor and/or flavor) blends with :
 borneol
isoborneol
laevo-borneol
 bornyl acetate
isobornyl acetate
laevo-bornyl acetate
isobornyl methyl ether
isobutyl furyl propionate
delta-cadinene
 camphor oil
 cedarwood oil port orford
 chamomile oil morocco
 cubeb oleoresin
 cypress oil
(E+Z)-4,8-dimethyl-3,7-nonadien-2-ol
2,10-epoxypinane
 fenchyl alcohol
 geranic oxide
 gurjun balsam
 herbal dioxane
 herbal ethanone
6-hydroxydihydrotheaspirane (mixture of isomers)
 lavender spike absolute
 marjoram oil sweet cuba
 marjoram oil sweet egypt
 myrtenol
 myrtenyl formate
 myrtenyl isobutyrate
 nopyl acetate
 nopyl aldehyde
 origanum oil
 origanum oil turkey
 pepper oleoresin white
(Z)-2-pinanol
 pine needle oil scotch siberia
(+)-beta-pinene
laevo-beta-pinene
 pinocarveol
 pinus sylvestris l. needle oil estonia
 pinus sylvestris l. needle oil yugoslavia
 plectranthus glandulosus hook f. leaf oil cameroon
 pulegone
 rosemary oil
 rosemary oil morocco
 terpinolene
 thyme oil
 thyme oil white
 tricyclodecenyl acetate

natural occurrence in :
data pagegingergrass oil @ 0.58%
data pagehyptis suaveolens (l.) poit. oil mali @ trace-0.10%
data pagelaurel leaf oil turkey @ <0.10%
data pagelime oil distilled peru @ trace%
data pagemandarin oil italy @ trace%
parsley
data pageparsley leaf oil @ 0.49%
data pageparsley leaf oil cuba @ 0.03%
data pageparsley leaf oil cuba @ 3.90%
data pageparsley leaf oil egypt @ 6.20%
data pageparsley seed oil @ 0.28%
data pagepiper cernum vell. var. cernum yuncker leaf oil brazil @ 0.30%



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