terpinolene
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IUPAC name :1-methyl-4-propan-2-ylidenecyclohexene
InChI :InChI=1/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4H,5-7H2,1-3H3
InChIKey :MOYAFQVGZZPNRA-UHFFFAOYAS
SMILES :CC1=CCC(=C(C)C)CC1
cas number :586-62-9
(EINECS) number :209-578-0
beilstein number :1851203
fema number :3046
coe number :2115
jecfa number :1331
fl. number :01.005
molar refractivity :45.45 ± 0.3 cm3
parachor :364.9 ± 6.0 cm3
index of refraction :1.481 ± 0.02
surface tension :27.3 ± 3.0 dyne/cm
density :0.853 ± 0.06 g/cm3
polarizability :18.02 ± 0.5 10-24cm3
XlogP : 3.30
molecular weight : 136.2340400
formula :C10 H16
NMR Predictor :Predict
 
 
export tariff code :3805.90.0000
fda reg :172.515
Suppliers :
Berje :Terpinolene
20%
Berje :Terpinolene
90%
Berje :Terpinolene
Special Rein 95%
Fleurchem :terpinolene
IFF :Terpinolene 90 PQ
Odor:  Fresh lime-pine top note.
IFF :terpinolene 90
Odor:  Pine, Lime, Citrus
John D. Walsh :Terpinolene 20
John D. Walsh :Terpinolene 90
Moellhausen :terpinolene
94% min. nature identical kosher
Nippon Terpene :Terpinolene
93% up (including isomer)
Penta :terpinolene 20
Penta :terpinolene 90
Sigma-Aldrich-SAFC :Terpinolene
≥90%, NI, Kosher
Odor:  plastic
Takasago :Terpinolene
≥95% as Terpinolene
Odor:  Sweet-piney, oily and relatively pleasant
organoleptics :
odor type :herbal
odor strength :medium ,
recommend smelling in a 10.00 % solution or less
odor description :¹
at 10.00 % in dipropylene glycol.  		fresh woody sweet pine citrus
odor sample from :Union Camp Corporation
substantivity :4  Hour(s)
properties :
appearence :colorless clear liquid
assay : 96.00 to 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.88000 to 0.89000 @ 25.00 °C.
pounds per gallon - calc. : 7.322 to 7.406
refractive index :1.46000 to 1.46400 @ 20.00 °C.
boiling point : 183.00 to 185.00 °C. @ 760.00 mm Hg
vapor pressure :0.74300 mm/Hg @ 24.00 °C.
vapor density :4.7 ( Air = 1 )
flash point : 148.00  °F.  TCC  ( 64.44 °C. )
logP (o/w) : 4.47
safety :
most important hazard(s) :Xn - Harmful.
  R 10 - Flammable.
R 65 - Harmful: may cause lung damage if swallowed.
S 02 - Keep out of the reach of children.
S 23 - Do not breath spray.
S 24/25 - Avoid contact with skin and eyes.
S 62 - If swallowed, do not induce vomiting: seek medical advice immediately and show this container or label.
Human experience : 10 % solution: no irritation or sensitization.
Oral Toxicity(LD50) :
  Oral-Rat    4.39  ml/kg
(Levenstein, 1975o)

Dermal Toxicity(LD50) :
  Skin-Rabbit  >5000.00  mg/kg

Inhalation Toxicity(LC50) :
  Not determined
 
safety in use :
Maximised Survey-derived Daily Intakes (MSDI-EU) :656.00 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA) :70.00 (μg/capita/day)
Structure Class :I
 
recommendation for terpinolene usage levels up to :
  5.0000 % in the fragrance concentrate.
recommendation for terpinolene usage levels up to :
  70.0000 ppm in the flavor.
safety references :
European Food Safety Athority(efsa) :Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies...
EPI System :view
NLM Hazardous Substances Data Bank :search
Toxicology Citations :Search
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
SCCNFP :opinion
WISER :UN 2541
 
WGK Germany :2
 
 
 
 1-methyl-4-propan-2-ylidenecyclohexene
(EINECS) number :209-578-0
RTECS :WZ6870000 for 586-62-9
chemidplus :000586629
EPA/NOAA CAMEO :hazardous materials
EPA Substance Registry Services :586-62-9
references :
 1-methyl-4-propan-2-ylidenecyclohexene
fl. number :01.005
jecfa number :1331
NIST Chemistry WebBook :2822145452
pubchem :154770
Cosmetics :
Cosmetic uses : perfuming agents
other :
reference : Luebke, William tgsc, (1985)¹
VCF-Online: VCF Volatile Compounds in Food
synonyms :
para-menth-1,4,8-diene
para-mentha-1,4,8-diene
para-mentha-1,4(8)-diene
1,4(8)-para-menthadiene
1-methyl-4-(1-methyl ethylidene) cyclohexene
1-methyl-4-isopropylidene-1-cyclohexene
1-methyl-4-propan-2-ylidenecyclohexene
 nofmer TP
4-isopropylidene-1-methyl cylohexene
1,4,8-terpadiene
1,4(8)-terpadiene
isoterpinene
soluble in :
 alcohol
 water, 9.5 mg/L @ 23C
insoluble in :
 water
stability :
 alcoholic fine fragrance, fair
 antiperspirant, good
 deo stick
 fabric softener, good
 hard surface cleaner
 liquid detergent, good
 perborate powder detergent, poor
 shampoo
 soap, good
(odor and/or flavor) blends with :
para-cymene
 frankincense oil
 ginger root oil
 ginger root oil brazil
 ginger root oil cochin
 hyssop oil
 juniper berry absolute
 juniper berry oil
 mango thiol
 nutmeg absolute
 nutmeg oil
beta-ocimene
alpha-phellandrene
 sabinene
alpha-terpinene
gamma-terpinene
 thyme oil wild or creeping
(odor and/or flavor) used in :
 ajowan
 bergamot
 citrus
 coriander
 eucalyptus
 forest pine forest
 lemon
 lime
 mango
 pine
 spice
natural occurrence in :
data pageachillea tenuifolia lam. flower oil iran @ 0.10%
data pageajowan seed oil turkey @ trace%
data pagealpinia galanga oil @ trace%
data pageangelica root oil @ 0.87%
data pageangelica seed oil CO2 extract @ trace%
data pageartemisia campestris spp. glutinosa flower oil italy @ trace%
data pageartemisia santolina schrenk oil iran @ 0.10%
data pageartemisia variabilis flower oil italy @ trace%
data pagebasil flower oil sweet @ 0.08%
data pagebasil leaf oil sweet (ocimum basilicum) @ trace%
data pagebasil oil sweet poland @ 0.03%
data pagebay leaf oil @ 0.09-0.24%
data pagebay leaf oil anise @ 0.1%
data pagebergamot mint oil @ 0.0-0.1%
data pagebergamot oil @ 0.210-0.476%
data pagebergamot oil turkey @ 0.18%
data pagebetel leaf oil @ 0.50%
data pageblood orange oil (citrus sinensis l. var. sanguinello) italy @ 0.025%
data pageblood orange oil (citrus sinensis l. var. tarocco) italy @ 0.017%
data pageblood orange oil italy @ 0.033%
data pagebuchu leaf oil @ 0.09%
data pagecabocla flower oil brazil @ 0.70%
data pagecajuput oil @ 0.1%
data pagecajuput oil vietnam @ 5.9%
data pagecalamintha nepeta (l.) savi subsp. glandulosa oil greece @ trace%
data pagecananga fruit oil @ 0.8%
data pagecananga leaf oil @ trace%
data pagecarrot seed oil @ 0.28%
data pagecascarilla bark oil @ 0.07%
data pagecassis bud oil @ 0.40-20.00%
data pagecedarleaf oil canada @ 0.11-0.21%
data pagecedarwood oil lebanon @ >0.10%
data pagecelery leaf oil @ 0.20%
data pagechamomile oil morocco @ 0.25%
data pagechampaca concrete @ 0.55%
data pagecinnamomum fragrans baillon leaf oil madagascar @ 0.30%
data pagecinnamomum fragrans baillon leaf oil madagascar @ 0.60%
data pagecinnamon oil CO2 extract @ 0.01-0.04%
data pagecitronella oil ceylon @ 0.74%
data pagecitronella oil china @ 0.05%
data pagecitronella oil java @ 0.06%
data pageclary sage oil france @ trace%
data pageclary sage oil greece @ trace%
data pageclary sage oil spain @ 0.37%
data pagecoriander seed oil cuba @ 0.53%
data pagecostmary oil @ 0.05%
data pagecouroupita guianensis aubl. flower oil brazil @ 0.20%
data pagecrithmum maritimum l. oil turkey @ 0.70%
data pagecroton flavens l. (welensali) leaf oil curacao @ trace%
data pagecubeb oil @ 0.31%
data pagecumin seed oil egypt @ 0.11%
currant black currant
data pagecurry fruit oil india @ 0.70%
data pagecurry leaf oil india @ 0.20%
data pagecurry wood leaf oil australia @ trace%
cypress
data pagecypress cone oil egypt @ 3.9%
data pagecypress oil @ trace%
data pagedill weed oil reunion @ 0.20%
data pageechinophora cinerea oil iran @ 0.10%
elemi
data pageestragon oil @ trace%
data pageeucalyptus camaldulensis dehn. leaf oil jerusalem @ 0.40%
data pageeucalyptus camaldulensis dehnh. leaf oil ethiopia @ 0.40%
data pageeucalyptus citriodora oil @ trace%
data pageeucalyptus deaneti maiden leaf oil ethiopia @ 0.20%
data pageeucalyptus delegatensis r. baker leaf oil ethiopia @ 1.60%
data pageeucalyptus globulus bicostata oil @ 0.98%
data pageeucalyptus globulus bud oil @ trace%
data pageeucalyptus globulus fruit oil @ 0.20%
data pageeucalyptus globulus oil @ 0.15%
data pageeucalyptus globulus oil burundia @ 0.10%
data pageeucalyptus globulus oil pakistan @ 0.50%
data pageeucalyptus globulus oil rwanda @ 0.06%
data pageeucalyptus globulus oil zambia @ trace%
data pageeucalyptus grandis w. hill ex maiden leaf oil ethiopia @ 0.80%
data pageeucalyptus urophylla s.t. blake leaf oil ethiopia @ 0.50%
data pagefeatherfew leaf oil @ trace%
data pagefennel flower oil bitter lithuania @ 0.10%
data pagefennel seed oil bitter lithuania @ trace%
data pagefir needle oil canada @ 0.17-1.68%
data pagefir needle oil siberia @ 1.12%
data pagefoeniculum vulgare piperitum oil @ 9.20%
data pagefrankincense oil somalia @ 0.10%
data pagegalangal root oil @ 0.09%
data pageginger root oil brazil @ 0.50%
data pagegrapefruit oil c.p. @ 0.02%
data pagegrapefruit oil c.p. @ 0.02%
data pagegrapefruit oil c.p. @ 0.04%
data pagegrapefruit oil c.p. italy @ trace%
data pagegrapefruit oil c.p. russia @ 0.09%
data pagegrapefruit oil c.p. russia @ 0.10%
data pagegrapefruit oil c.p. russia @ 0.13%
data pagegrapefruit oil c.p. russia @ 0.84%
data pagegrapefruit oil california @ trace%
data pagegrapefruit oil CO2 extract @ 0.06%
guava
data pagehelichrysum italicum oil america @ 0.39%
data pagehinoki leaf oil @ 1.00%
data pagehinoki root oil @ 0.50%
data pagehinoki wood oil @ 0.19%
data pageho leaf oil @ 0.02%
data pagehypericum dogonbadanicum assadi oil iran @ 1.60%
data pagehyptis suaveolens (l.) poit. oil mali @ 4.00-7.20%
data pagejuniper berry oil @ 1.00%
data pagejuniper berry oil CO2 extract @ 3.00%
data pagejuniper branch oil @ 1.00%
data pagekewda oil @ 0.24-0.28%
data pagelabdanum leaf oil @ 0.20%
data pagelabdanum oil @ 0.43%
data pagelaurel bark oil @ 0.2%
data pagelaurel leaf oil turkey @ 0.40%
data pagelaurel leaf oil turkey @ 0.70%
data pagelaurel stem oil @ 0.1%
data pagelaurel wood oil @ 0.1%
data pagelavandin oil abrialis @ 0.48%
data pagelavandin oil grosso @ 0.26%
data pagelavender oil france @ 0.29%
data pagelavender oil greece @ 0.09%
data pagelavender oil spike france @ 0.07%
data pagelavender oil spike spain @ 0.69%
data pagelavender spike water @ 0.03%
data pagelavender water bulgaria @ 0.05%
data pagelayana oil kenya @ 0.05%
data pagelayana oil wild zimbabwe @ 0.10-0.50%
data pagelayana oil zimbabwe @ 0.3%
data pagelemon oil california @ 0.34%
data pagelemon oil expressed italy @ 0.43%
data pagelemon verbena oil morocco @ trace%
data pagelemongrass oil @ 0.05%
data pagelemongrass oil @ 0.09%
data pagelemongrass oil egypt @ 0.30%
data pagelime oil CO2 extract mexico @ 5.28%
data pagelime oil distilled peru @ 9.70%
data pagelime oil expressed florida @ 0.7%
lovage
data pagelovage flower oil @ 1.50%
data pagelovage leaf oil @ trace%
data pagelovage root oil @ 0.37%
data pagelovage seed oil @ 0.86%
lychee
data pagemace oil CO2 extract @ 0.40%
data pagemandarin oil avana @ 0.78%
data pagemandarin oil italy @ 1.38%
data pagemandarin oil japan @ 0.20%
data pagemandarin oil uruguay @ 0.03%
data pagemanuka var. eximium oil australia @ 0.20%
data pagemanuka var. rotundifolium oil australia @ trace%
data pagemanuka var. scoparium oil new zealand @ 0.05%
data pagemarjoram oil spain @ 0.10%
data pagemarjoram oil sweet cuba @ 1.52%
data pagemarjoram oil sweet cyprus @ 1.70-2.40%
data pagemarjoram oil sweet egypt @ 4.59%
data pagemarjoram oil sweet egypt @ 7.81%
data pagemarjoram oil sweet iran @ 2.00%
data pagemarjoram oil sweet morocco @ 0.46%
data pagemarjoram oil sweet turkey @ 0.12-0.13%
data pagemarjoram pot oil turkey @ 0.05-0.24%
data pagemastic fruit oil @ 0.07%
data pagemastic leaf oil @ 0.06%
data pagemastic oil @ 0.12%
data pagemicrostrobos fitzgeraldii leaf oil australia @ 0.10%
data pagemicrostrobos niphophilus leaf oil australia @ 0.50%
data pagemikan peel oil @ 0.13%
data pagemyrrhinium atropurpureum schott leaf oil brazil @ 0.20%
data pagemyrtle oil @ 0.10%
data pagenarcissus absolute @ trace%
data pageneroli oil CO2 extract @ 0.16%
data pageniaouli oil egypt @ 0.30%
data pagenutmeg extract co2 west indian @ 0.20%
data pagenutmeg flower oil @ 0.48%
data pagenutmeg leaf oil @ 0.00-0.28%
data pagenutmeg oil hydrodistilled india @ 1.2%
data pagenutmeg oil india @ 0.97%
data pageocimum gratissimum l. oil brazil @ 0.11%
data pageorange peel oil bitter china @ 0.21%
data pageorange peel oil bitter italy @ 0.02%
data pageorange peel oil sweet c.p. blond italy @ 0.014%
data pageorange peel oil sweet c.p. blond italy @ 0.017%
data pageorange peel oil sweet c.p. blond italy @ 0.023%
data pageorange peel oil sweet c.p. blond italy @ 0.030%
data pageorange peel oil sweet c.p. blond italy @ 0.077%
data pageoregano oil mexico @ 0.08%
data pageoriganum oil greece @ 0.41%
data pageosmanthus absolute @ 0.06%
data pagepalmarosa oil @ trace%
papaya
data pageparsley leaf oil @ 2.50%
data pageparsley leaf oil cuba @ 0.72%
data pageparsley leaf oil egypt @ 2.78%
data pageparsley seed oil @ 0.14%
passion fruit
data pagepepper oil black india @ 0.10%
data pagepepper tree berry oil @ 0.10%
data pagepepper tree leaf oil @ 0.20%
data pagepeppermint oil america @ 0.18%
data pagepetitgrain bergamot oil @ 0.31%
data pagepetitgrain bigarade oil @ 0.20%
data pagepetitgrain combava oil @ 0.05%
data pagepetitgrain grapefruit oil @ 2.20%
data pagepetitgrain lemon oil @ 0.01%
data pagepetitgrain lime oil @ 0.10%
data pagepetitgrain mandarin oil @ 0.32%
data pagepetitgrain oil @ 0.40%
data pagepetitgrain sweet oil @ 0.02%
data pagephoebe oil brazil @ 0.01%
data pagepimenta leaf oil @ 1.38%
data pagepimento berry oil @ trace%
data pagepimento berry oil CO2 extract jamaica @ 0.4%
pine
data pagepine needle oil dwarf @ 2.15%
data pagepine needle oil scotch siberia @ 0.1-0.2%
data pagepinus sylvestris l. needle oil estonia @ 2.60%
data pagepinus sylvestris l. needle oil yugoslavia @ 0.60%
data pageplectranthus glandulosus hook f. leaf oil cameroon @ 25.20%
data pageprangos uechtritzii boiss. et hausskn. fruit oil turkey @ 1.10%
data pageprotium heptaphyllum (aubl.) march resin oil brazil @ 28.50%
data pagepteronia oil @ 0.10%
raspberry
data pagerosemary oil france @ 0.51-0.78%
data pagerosemary oil morocco @ 0.29-0.36%
data pagesage oil albania @ 0.40%
data pagesage oil cuba @ 0.22%
data pagesage oil england @ 0.10%
data pagesage oil germany @ 0.23%
data pagesage oil reunion @ 0.20%
data pagesage oil spain @ 0.0-0.3%
data pagesage oil spain @ 0.1%
data pagesage oil spain @ 0.20%
data pagesalvia atropatana bunge oil iran @ 0.20%
data pagesantolina oil @ 1.05%
data pagesatureja khuzistanica jamzad oil iran @ trace%
data pagesatureja viminea l. oil costa rica @ 0.90%
data pagesavin oil @ 0.80%
data pagesnake root oil canada @ 0.40%
data pagespearmint oil america @ 0.04-0.07%
data pagesugandha kokila berry oil @ 0.30%
data pagetagete oil rwanda @ 0.35%
data pagetansy oil argentina @ trace%
data pagetansy oil canada @ trace%
data pagetansy oil marocco @ 0.10%
tea
data pagetea tree oil australia @ 3.18%
data pagethevetia peruviana (pers.) k. schum. flower oil brazil @ 0.50%
data pagethyme oil portuguese @ trace%
data pagethyme oil red CO2 extract @ 0.09%
data pagethyme oil red spain @ 0.18-0.19%
data pagethyme oil spain @ 0.15%
data pagethyme oil wild or creeping finland @ 0.10%
data pagetrachyspermum roxburghianum benth. ex. kurz. seed oil india @ 1.90%
data pageturmeric root oil vietnam @ 0.90%
data pagevalerian root oil @ trace-0.1%
data pagevalerian root oil CO2 extract china @ 0.02%
data pagevassoura oil @ 0.20%
data pagewormwood oil america @ 0.05%
data pagewormwood oil annus france @ 0.00-0.33%
data pagewormwood oil cuba @ 0.75%
data pagewormwood oil italy @ 0.1%
data pageyarrow leaf oil @ 0.50%
data pageyarrow oil @ 0.20%
data pageyarrow oil greece @ 0.30%
data pageyuzu leaf oil @ 0.42-0.52%
data pageyuzu peel oil c.p. @ 0.23-0.51%
data pageyuzu peel oil CO2 extract @ 0.17-0.34%



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