delta-3-carene
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IUPAC name :3,7,7-trimethylbicyclo[4.1.0]hept-3-ene
InChI :InChI=1/C10H16/c1-7-4-5-8-9(6-7)10(8,2)3/h4,8-9H,5-6H2,1-3H3
InChIKey :BQOFWKZOCNGFEC-UHFFFAOYAK
SMILES :CC1=CCC2C(C1)C2(C)C
cas number :13466-78-9
(EINECS) number :236-719-3
beilstein number :1902766
fema number :3821
coe number :10983
jecfa number :1342
fl. number :01.029
molar refractivity :43.96 ± 0.3 cm3
parachor :347.5 ± 6.0 cm3
index of refraction :1.479 ± 0.02
surface tension :25.3 ± 3.0 dyne/cm
density :0.879 ± 0.06 g/cm3
polarizability :17.42 ± 0.5 10-24cm3
XlogP : 4.20
molecular weight : 136.2340400
formula :C10 H16
NMR Predictor :Predict
 
 
export tariff code :unspecified
fda reg :unspecified
Suppliers :
Berje :delta-3-Carene
Nippon Terpene :3-Carene
90%
Penta :delta-3-carene
Sigma-Aldrich-SAFC :3-Carene
organoleptics :
odor type :citrus
odor strength :medium
odor description :
at 100.00 %.  		sweet citrus
properties :
appearence :colorless clear liquid
assay : 92.00 to 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.86000 to 0.86800 @ 25.00 °C.
pounds per gallon - calc. : 7.156 to 7.223
refractive index :1.46800 to 1.47800 @ 20.00 °C.
optical rotation :+7.00 to +15.00
melting point : 23.00 to 24.00 °C. @ 760.00 mm Hg
boiling point : 169.00 to 174.00 °C. @ 705.00 mm Hg
boiling point : 170.00 °C. @ 760.00 mm Hg
vapor pressure :3.72000 mm/Hg @ 25.00 °C.
flash point : 115.00  °F.  TCC  ( 46.11 °C. )
logP (o/w) : 4.38
shelf life : 12.00 month(s) or longer if stored properly.
storage :refrigerate in tightly sealed containers.  store under nitrogen.
safety :
most important hazard(s) :Xi N - Irritant, Dangerous for the environment.
  R 10 - Flammable.
R 36/37/38 - Irritating to eyes, respiratory system, and skin.
R 38 - Irritating to skin.
R 50/53 - Very 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 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S 36 - Wear suitable protective clothing.
S 61 - Avoid release to the environment. Refer to special instructions/safety data sheet.
Oral Toxicity(LD50) :
  Oral-Rat   [sex: M]  4800.00  mg/kg
(Moreno, 1972l)

Oral-Rat    >5000.00  mg/kg
(Keating, 1972a)

Dermal Toxicity(LD50) :
  Not determined
Inhalation Toxicity(LC50) :
  Not determined
 
safety in use :
Maximised Survey-derived Daily Intakes (MSDI-EU) :ND (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA) :40.00 (μg/capita/day)
 
recommendation for delta-3-carene usage levels up to :
  1.0000 % in the fragrance concentrate.
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
Cancer Citations :Search
Toxicology Citations :Search
SCCNFP :opinion
 
WGK Germany :2
 
 
 
 3,7,7-trimethylbicyclo[4.1.0]hept-3-ene
(EINECS) number :236-719-3
RTECS :FH8400000 for 13466-78-9
chemidplus :074806045
EPA/NOAA CAMEO :hazardous materials
EPA Substance Registry Services :13466-78-9
references :
 3,7,7-trimethylbicyclo[4.1.0]hept-3-ene
fl. number :01.029
jecfa number :1342
NIST Chemistry WebBook :1665235091
pubchem :669277
Cosmetics :
Cosmetic uses : perfuming agents
other :
CosIng :cosmetic data
VCF-Online: VCF Volatile Compounds in Food
synonyms :
(±)-3-carene
(±)-delta3-carene
3-carene
delta(sup3)-carene
S-3-carene
3,7,7-trimethyl bicyclo(4.1.0)hept-3-ene
3,7,7-trimethyl bicyclohept-3-ene
3,7,7-trimethyl-3-norcarene
3,7,7-trimethylbicyclo[4.1.0]hept-3-ene
soluble in :
 alcohol
 water, 3 mg/L @ 25C
insoluble in :
 water
natural occurrence in :
data pageajowan seed oil turkey @ trace%
data pageangelica root oil @ 16.24%
data pageangelica seed oil CO2 extract @ 1.70%
data pageanise seed oil star china @ 0.58%
data pagebasil oil sweet poland @ 0.11%
data pagebergamot oil @ 0.001-0.009%
bergamot plant wild
data pageblood orange oil (citrus sinensis l. var. sanguinello) italy @ 0.104%
data pageblood orange oil (citrus sinensis l. var. tarocco) italy @ 0.065%
data pageblood orange oil italy @ 0.147%
data pageboldo leaf oil italy @ 0.25%
data pageboldus leaf oil chile @ 0.14%
data pagecajuput oil vietnam @ trace%
data pagecassia bark oil china @ 2.90%
data pagecassia leaf oil china @ 2.90%
data pagecassis bud oil @ 0.17-45.50%
data pagecedarwood oil lebanon @ >0.10%
data pagecinnamomum fragrans baillon leaf oil madagascar @ 1.80%
data pagecinnamon bark oil (cinnamomum zeylanicum blume) sri lauka @ 0.01-0.02%
data pagecinnamon bark oil ceylon @ 2.90%
data pagecitronella oil ceylon @ 0.12%
data pagecitronella oil china @ 0.01%
data pagecitronella oil java @ 0.01%
data pagecostmary oil @ 0.01%
data pagecrithmum maritimum l. oil turkey @ <0.10%
data pagecurry fruit oil india @ <0.05%
data pagecurry leaf oil india @ <0.05%
data pagecurry wood leaf oil australia @ 0.60%
data pagecypress cone oil egypt @ 19.0%
data pagecypress oil @ 19.35-21.13%
data pagedill weed oil reunion @ trace%
data pagefeverfew flower oil @ trace%
data pagefir needle oil canada @ 0.00-27.27%
data pagefir needle oil siberia @ 12.23%
data pagehyptis suaveolens (l.) poit. oil mali @ 0.10-0.30%
data pagejuniper branch oil @ 0.60%
data pagelaurel leaf oil turkey @ <0.10%
data pagelavandin oil abrialis @ 0.13%
data pagelavandin oil grosso @ 0.05%
data pagelavender oil @ 0.11%
data pagelavender oil france @ trace%
data pagelavender oil greece @ 0.04%
data pagelemon oil expressed italy @ trace%
data pagelime oil distilled mexico @ 0.01%
data pagelime oil distilled peru @ 0.03%
data pagelime oil expressed florida @ trace%
data pagemace oil CO2 extract @ 0.60%
data pagemace oil east india @ 0.67%
data pagemandarin oil uruguay @ 0.17-0.19%
data pagemarjoram oil sweet turkey @ 0.07-0.08%
data pagemarjoram pot oil turkey @ 0.07-0.10%
data pagemastic oil @ 0.01%
data pagemyrtle oil @ 0.19%
data pagenarcissus absolute @ 6.57%
data pagenarcissus absolute @ 8.40%
data pagenutmeg extract co2 west indian @ 0.40%
data pagenutmeg leaf oil @ 0.70-2.08%
data pagenutmeg oil hydrodistilled india @ 0.8%
data pagenutmeg oil india @ 0.89%
data pageorange peel oil bitter italy @ 0.01%
data pageorange peel oil sweet c.p. blond italy @ 0.039%
data pageorange peel oil sweet c.p. blond italy @ 0.060%
data pageorange peel oil sweet c.p. blond italy @ 0.155%
data pageorange peel oil sweet c.p. blond italy @ 0.204%
data pageorange peel oil sweet c.p. blond italy @ 0.407%
data pageoriganum oil greece @ 0.10%
data pageosmanthus absolute @ trace%
data pagepepper oil black india @ 2.00%
data pagepetitgrain combava oil @ trace%
data pagepetitgrain grapefruit oil @ 6.10%
data pagepetitgrain lemon oil @ trace%
data pagepetitgrain lime oil @ 0.40%
data pagepetitgrain oil @ trace%
data pagepetitgrain sweet oil @ 1.66%
data pagepeucedanum petiolare (dc) boiss oil iran @ 36.20%
data pagephoebe oil brazil @ 0.20%
data pagepimento berry oil @ trace%
data pagepine needle oil dwarf @ 11.77%
data pagepine needle oil scotch siberia @ 3.4-11.6%
data pagepinus sylvestris l. needle oil estonia @ 23.70%
data pagepinus sylvestris l. needle oil yugoslavia @ 1.10%
data pagepiper cernum vell. var. cernum yuncker leaf oil brazil @ 0.40%
data pageplectranthus glandulosus hook f. leaf oil cameroon @ 1.50%
data pageprangos uechtritzii boiss. et hausskn. fruit oil turkey @ 1.00%
data pagerosemary oil CO2 extract @ 0.39%
data pagerosemary oil france @ 0.19-1.19%
data pagerosemary oil morocco @ 0.15-0.20%
data pagerosemary oil spain @ 0.5%
data pagesage oil england @ trace%
data pagesage oil reunion @ trace%
data pagesatureja khuzistanica jamzad oil iran @ 0.80%
data pagesavin oil @ 0.21%
data pagetagete flower oil rwanda @ trace%
data pagetagete oil rwanda @ 0.11%
data pagetansy oil marocco @ 030%
data pagethyme oil red CO2 extract spain @ 3.0%
data pagethyme oil red spain @ 0.07-0.13%
data pagethyme oil wild or creeping pakistan @ 0.96%
data pagevalerian root oil CO2 extract china @ 0.03%
data pagevassoura oil @ 0.10%
data pagewormseed oil america @ 0.03%
data pagewormwood oil poland @ trace%
data pageyarrow oil greece @ trace%



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