alpha-terpinene
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IUPAC name :1-methyl-4-propan-2-ylcyclohexa-1,3-diene
InChI :InChI=1/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,6,8H,5,7H2,1-3H3
InChIKey :YHQGMYUVUMAZJR-UHFFFAOYAG
SMILES :CC1=CC=C(CC1)C(C)C
cas number :99-86-5
(EINECS) number :202-795-1
beilstein number :1853379
fema number :3558
coe number :11023
jecfa number :1339
fl. number :01.019
molar refractivity :45.44 ± 0.3 cm3
parachor :366.6 ± 4.0 cm3
index of refraction :1.475 ± 0.02
surface tension :26.8 ± 3.0 dyne/cm
density :0.845 ± 0.06 g/cm3
polarizability :18.01 ± 0.5 10-24cm3
XlogP : 3.50
molecular weight : 136.2340400
formula :C10 H16
NMR Predictor :Predict
 
 
export tariff code :unspecified
fda reg :172.515
Suppliers :
Berje :alpha-Terpinene
Moellhausen :alpha-terpinene
85% min. nature identical kosher
Odor:  sharp, terpenic, lemon
Flavor:  terpene, citrus
Nippon Terpene :alpha-Terpinene
80% up
Penta :alpha-terpinene, natural
Penta :para-mentha-1,3-diene
Sigma-Aldrich-SAFC :a-Terpinene
≥89%, FCC, Kosher, FG
Odor:  berry; lemon; sweet; camphoraceous; vegetable; pepper; medicinal; woody
Takasago :alpha-Terpinene
≥80% as alpha-Terpinene
Odor:  Refreshingly herbaceous-citrusy
Takasago :Terpinol
≥90% as Terpene hydrocarbons
organoleptics :
odor type :woody
odor strength :medium ,
recommend smelling in a 10.00 % solution or less
odor description :¹
at 10.00 % in dipropylene glycol.  		woody terpene lemon herbal medicinal citrus
odor sample from :SCM Organic Chemicals
substantivity :4  Hour(s)
properties :
appearence :colorless to pale yellow clear oily liquid
assay : 89.00 to 100.00 %   
Food Chemicals Codex Listed :Yes
specific gravity :0.83300 to 0.83800 @ 25.00 °C.
pounds per gallon - calc. : 6.931 to 6.973
refractive index :1.47500 to 1.48000 @ 20.00 °C.
boiling point : 173.00 to 175.00 °C. @ 760.00 mm Hg
vapor pressure :0.80000 mm/Hg @ 20.00 °C.
vapor density :4.7 ( Air = 1 )
flash point : 115.00  °F.  TCC  ( 46.11 °C. )
logP (o/w) : 4.25
safety :
most important hazard(s) :Xn N - Harmful, Dangerous for the environment.
  R 10 - Flammable.
R 22 - Harmful if swallowed.
R 36/37/38 - Irritating to eyes, respiratory system, and skin.
R 51/53 - Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment.
S 02 - Keep out of the reach of children.
S 16 - Keep away from sources of ignition - No Smoking.
S 20/21 - When using do not eat, drink or smoke.
S 24/25 - Avoid contact with skin and eyes.
S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S 37/39 - Wear suitable gloves and eye/face protection.
S 61 - Avoid release to the environment. Refer to special instructions/safety data sheet.
Human experience : 5 % solution: no irritation or sensitization.
Oral Toxicity(LD50) :
  Oral-Rat    1680.00  mg/kg
(Moreno, 1973ah)

Dermal Toxicity(LD50) :
  Not determined
Inhalation Toxicity(LC50) :
  Not determined
 
safety in use :
Maximised Survey-derived Daily Intakes (MSDI-EU) :27.00 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA) :93.00 (μg/capita/day)
 
recommendation for alpha-terpinene usage levels up to :
  5.0000 % in the fragrance concentrate.
recommendation for alpha-terpinene usage levels up to :
  100.0000 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
Chemical Carcinogenesis Research Information System :Search
NLM Developmental and Reproductive Toxicity :Search
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
SCCNFP :opinion
WISER :UN 2319
 
WGK Germany :2
 
 
 
 1-methyl-4-propan-2-ylcyclohexa-1,3-diene
(EINECS) number :202-795-1
RTECS :OS8060000 for 99-86-5
chemidplus :000099865
EPA Substance Registry Services :99-86-5
references :
 1-methyl-4-propan-2-ylcyclohexa-1,3-diene
fl. number :01.019
jecfa number :1339
NIST Chemistry WebBook :3919648470
pubchem :150533
Cosmetics :
Cosmetic uses : perfuming agents
other :
reference : Luebke, William tgsc, (1986)¹
CosIng :cosmetic data
VCF-Online: VCF Volatile Compounds in Food
synonyms :
para-mentha-1,3-diene
1,3-para-menthadiene
1-methyl-4-(1-methyl ethyl)-1,3-cyclohexadiene
1-methyl-4-isopropyl-1,3-cyclohexadiene
1-methyl-4-propan-2-ylcyclohexa-1,3-diene
4-isopropyl-1-methyl-1,3-cyclohexadiene
1-isopropyl-4-methyl cyclohexa-1,3-diene
1-isopropyl-4-methyl-1,3-cyclohexadiene
soluble in :
 alcohol
 fixed oils
insoluble in :
 water
(odor and/or flavor) blends with :
 abies alba mill oil
 angelica root oil
 angelica seed oil
(-)-camphene
 cassis bud oil
1,4-cineole
para-cymene
 dehydroxylinalool oxide
 dipentene
 elemi absolute
 elemi gum
 elemi resinoid
 frankincense oil
 ginger root oil
 ginger root oil brazil
 ginger root oil cochin
 hyssop oil
 juniper berry absolute
 juniper berry oil
 kauri-copal leaf oil
 kauri-copal oil
 lime pyran
laevo-limonene
 mace oleoresin
 mango thiol
 mastic oil
 mastic resinoid
 myrcene
 myrtenal
 nutmeg absolute
 nutmeg oil
 nutmeg oleoresin
(E,E)-2,6-alloocimene
beta-ocimene
(R)-(-)-alpha-phellandrene
alpha-phellandrene
beta-phellandrene
(+)-alpha-pinene
 plectranthus glandulosus hook f. leaf oil cameroon
 sabinene
 sabinene hydrate
 spruce oil
 tea tree oil
gamma-terpinene
alpha-terpineol
 thyme oil wild or creeping
 trimethyl cyclohexene
 zvoulimba oil
(odor and/or flavor) used in :
 bergamot
 cardamom
 carrot
 citrus
 coriander
 lemon
 lime
 mandarin
 mint
 nutmeg
 orange
 spice
 woody
natural occurrence in :
data pageagathosma crenulata oil @ 0.05%
data pageajowan seed oil turkey @ trace%
data pagealpinia galanga oil @ trace%
data pageangelica root oil @ 0.26%
data pagearmoise oil morocco @ 0.2%
data pageartemisia variabilis flower oil italy @ 0.10%
data pageartemisia vestita wall. flower oil @ 7.00%
data pageartemisia vestita wall. leaf oil @ 5.30%
data pagebasil oil sweet poland @ 0.06%
data pagebasil oil var. glabratum turkey @ trace%
data pagebay leaf oil @ 0.02-0.19%
data pagebergamot oil @ 0.081-0.282%
data pagebergamot oil turkey @ 0.07%
bergamot plant wild
data pageblood orange oil (citrus sinensis l. var. sanguinello) italy @ 0.004%
data pageblood orange oil (citrus sinensis l. var. tarocco) italy @ 0.002%
data pageblood orange oil italy @ 0.007%
data pageboldo leaf oil italy @ 0.04%
data pageboldus leaf oil chile @ 0.02%
data pagebuchu leaf oil @ 0.13%
data pagecabocla flower oil brazil @ 0.60%
data pagecajuput oil @ 0.1%
data pagecajuput oil vietnam @ 0.6%
data pagecalamintha nepeta (l.) savi subsp. glandulosa oil greece @ trace%
data pagecalamus leaf oil @ 0.04%
data pagecalamus root oil mongolia @ 0.40%
data pagecananga fruit oil @ 3.7%
cardamom
carrot
data pagecarrot seed oil @ 0.96%
data pagecarrot seed oil spain @ trace-0.29%
data pagecassis bud oil @ trace-1.32%
data pagecedarleaf oil canada @ 0.16-0.45%
data pagecedarwood oil lebanon @ >0.10%
celery
data pagecelery leaf oil @ trace%
data pagecinnamomum fragrans baillon leaf oil madagascar @ 0.30%
data pagecinnamomum fragrans baillon leaf oil madagascar @ 1.20%
data pagecitronella oil ceylon @ 0.06%
data pagecitronella oil china @ 0.01%
data pagecitronella oil java @ 0.01%
data pageclary sage oil france @ trace%
data pageclocimum oil india @ 0.43%
coriander
data pagecoriander seed oil @ <0.10%
data pagecoriander seed oil cuba @ 0.02%
data pagecrithmum maritimum l. oil turkey @ 1.40%
data pagecurry fruit oil india @ 0.20%
data pagecurry leaf oil india @ 0.20%
data pagecypress cone oil egypt @ 0.4%
data pagecypress oil @ 0.22-0.26%
data pagedill weed oil cuba @ 0.34%
data pagedill weed oil reunion @ trace%
data pageestragon oil @ trace%
data pageeucalyptus camaldulensis dehn. leaf oil jerusalem @ 0.60%
data pageeucalyptus camaldulensis dehnh. leaf oil ethiopia @ 0.50%
data pageeucalyptus deaneti maiden leaf oil ethiopia @ 0.30%
data pageeucalyptus globulus fruit oil @ 0.22%
data pageeucalyptus globulus oil burundia @ 0.10%
data pageeucalyptus globulus oil rwanda @ 0.02%
data pageeucalyptus globulus oil zambia @ trace%
data pageeucalyptus nitens (deane et maiden) maiden leaf oil ethiopia @ 0.20%
data pagefeatherfew leaf oil @ 2.98%
fennel
data pagefennel seed oil bitter lithuania @ 1.90%
data pagefir needle oil canada @ 0.02-0.11%
data pagefir needle oil siberia @ 0.10%
data pagefrankincense oil somalia @ trace%
data pagegeranium stem oil india @ 0.11%
data pagegingergrass oil @ 0.02%
grapefruit
data pagegrapefruit oil c.p. @ 0.03%
data pagegrapefruit oil c.p. @ 0.04%
data pagegrapefruit oil c.p. @ 0.24%
data pagegrapefruit oil c.p. italy @ 0.01%
data pagegrapefruit oil CO2 extract @ 0.03%
data pagehelichrysum italicum oil america @ 0.22%
data pagehinoki leaf oil @ 1.11%
data pagehinoki root oil @ 0.41%
data pagehinoki wood oil @ 0.15%
data pagehypericum dogonbadanicum assadi oil iran @ 0.20%
data pagehyptis spicigera lam. oil mali @ 0.30-0.40%
data pagehyptis suaveolens (l.) poit. oil mali @ 0.60-0.90%
data pagejuniper berry oil @ 0.50%
data pagejuniper berry oil CO2 extract @ 4.10%
data pagejuniper branch oil @ 1.10%
data pagejuniper needle oil @ 1.90%
data pagekewda oil @ 0.09-0.22%
data pagelabdanum leaf oil @ 0.10%
data pagelabdanum oil @ trace%
data pagelaurel leaf oil turkey @ 1.30%
data pagelavandin oil abrialis @ 0.09%
data pagelavandin oil grosso @ 0.05%
data pagelavender oil spike spain @ 0.33%
data pagelayana oil kenya @ 0.62%
data pagelayana oil wild zimbabwe @ 0.10-1.10%
data pagelayana oil zimbabwe @ 0.3%
lemon
data pagelemon oil california @ 0.16%
data pagelemon oil expressed italy @ 0.21%
data pagelemon verbena oil turkey @ 0.08%
data pagelemongrass oil morocco @ 0.10%
lime
data pagelime oil distilled mexico @ 2.84%
data pagelime oil distilled peru @ 2.35%
data pagelime oil expressed florida @ 0.3%
data pagelippia aff. gracillis h.b.k. leaf oil brazil @ 1.90%
data pagelovage flower oil @ 0.70%
data pagelovage leaf oil @ 0.80%
data pagelovage seed oil @ 4.80%
data pagemace oil CO2 extract @ 0.70%
mandarin
data pagemandarin oil @ 2.62%
data pagemandarin oil avana @ 0.40%
data pagemandarin oil uruguay @ trace%
data pagemanuka var. eximium oil australia @ 0.10%
data pagemanuka var. rotundifolium oil australia @ 0.10%
data pagemarjoram oil spain @ 0.10%
data pagemarjoram oil sweet cuba @ 3.32%
data pagemarjoram oil sweet cyprus @ 4.70-6.50%
data pagemarjoram oil sweet turkey @ 0.95-1.27%
data pagemarjoram pot oil turkey @ 0.39-2.31%
data pagemastic fruit oil @ 0.04%
data pagemastic leaf oil @ 0.02%
data pagemastic oil @ 0.05%
data pagemicrostrobos niphophilus leaf oil australia @ 0.50%
data pagemikan peel oil @ 0.41%
data pageneroli oil CO2 extract @ 0.04%
nutmeg
data pagenutmeg extract co2 west indian @ 0.40%
data pagenutmeg flower oil @ 3.67%
data pagenutmeg leaf oil @ 2.51-6.48%
data pagenutmeg oil hydrodistilled india @ 2.2%
data pagenutmeg oil india @ 1.24%
data pageocimum gratissimum l. oil brazil @ 0.14%
orange
data pageorange oil c.p. brazil @ trace%
data pageorange peel oil sweet c.p. blond italy @ 0.002%
data pageorange peel oil sweet c.p. blond italy @ 0.003%
data pageorange peel oil sweet c.p. blond italy @ 0.005%
data pageorange peel oil sweet c.p. blond italy @ 0.007%
data pageorange peel oil sweet c.p. blond italy @ 0.011%
data pageorange peel oil sweet c.p. egypt @ 0.12%
oregano
data pageoregano oil mexico @ 0.34%
data pageoriganum oil greece @ 0.03%
data pageparsley leaf oil egypt @ 0.17%
data pagepennyroyal oil spain @ trace%
pepper
data pagepepper oil black india @ 9.90%
data pagepepper tree leaf oil @ 0.02%
peppermint
data pagepeppermint oil america @ 0.43%
data pagepetitgrain combava oil @ 0.03%
data pagepetitgrain grapefruit oil @ 10.70%
data pagepetitgrain mandarin oil @ 0.26%
data pagepetitgrain oil @ 0.30%
data pagepimento berry oil @ trace%
data pagepimento berry oil CO2 extract jamaica @ trace%
pine
data pagepine needle oil dwarf @ 0.13%
data pagepinus sylvestris l. needle oil estonia @ 0.20%
data pagepinus sylvestris l. needle oil yugoslavia @ 0.20%
data pageplectranthus glandulosus hook f. leaf oil cameroon @ 0.80%
data pageprangos uechtritzii boiss. et hausskn. fruit oil turkey @ 0.50%
data pagepteronia oil @ 0.20%
data pagerosemary oil corsica @ 0.70%
data pagerosemary oil egypt @ 0.27%
data pagerosemary oil france @ 0.39-0.46%
data pagerosemary oil morocco @ 0.52-0.66%
data pagerosemary oil turkey @ 3.29%
data pagesage oil albania @ 0.20%
data pagesage oil cuba @ 0.12%
data pagesage oil england @ 0.20%
data pagesage oil germany @ 0.21%
data pagesage oil lithuania @ 0.24%
data pagesage oil reunion @ trace%
data pagesage oil spain @ 0.0-0.1%
data pagesantolina oil @ 0.65%
data pagesatureja viminea l. oil costa rica @ trace%
data pagesavin oil @ 0.50%
data pagesavory oil summer @ 4.45-4.69%
data pagesnake root oil canada @ 0.10%
spearmint
data pagesugandha kokila berry oil @ 0.40%
data pagetagete oil turkey @ 0.02%
data pagetangerine oil america @ trace%
data pagetansy flower oil canada @ 0.23%
data pagetansy flower oil dutch @ 0.20%
data pagetansy leaf oil dutch @ 0.30%
data pagetansy oil argentina @ trace%
data pagetansy oil marocco @ 0.40%
data pagetea tree oil australia @ 9.90%
data pagethevetia peruviana (pers.) k. schum. flower oil brazil @ 1.20%
data pagethyme absolute @ trace%
data pagethyme oil portuguese @ 1.0%
data pagethyme oil red CO2 extract @ 0.07%
data pagethyme oil red india @ 1.4%
data pagethyme oil red spain @ 1.67-2.34%
data pagethyme oil spain @ 0.02%
data pagethyme oil spain @ 1.91%
data pagethyme oil wild or creeping finland @ 0.30%
data pagethyme oil wild or creeping pakistan @ 0.67%
data pagetrachyspermum roxburghianum benth. ex. kurz. seed oil india @ 3.10%
data pageturmeric root oil hydrodistilled @ 0.20%
data pagevassoura oil @ 0.10%
wormseed
data pagewormseed oil america @ 17.54%
data pagewormseed oil spain @ 0.83%
data pagewormwood leaf oil annus america @ 0.22-0.40%
data pagewormwood oil america @ 0.16%
data pagewormwood oil annus france @ 0.00-0.18%
data pagewormwood oil cuba @ 1.55%
data pagewormwood oil italy @ 0.3%
data pageyarrow leaf oil @ 1.10%
data pageyarrow oil @ 0.60%
data pageyarrow oil greece @ 7.00%
data pageyuzu leaf oil @ 0.08-0.12%
data pagezanthoxylum bracchyacanthum l. leaf oil australia @ trace%



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