dextro-limonene
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IUPAC name :1-methyl-4-prop-1-en-2-ylcyclohexene
InChI :InChI=1/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,10H,1,5-7H2,2-3H3
InChIKey :XMGQYMWWDOXHJM-UHFFFAOYAC
SMILES :CC1=CCC(CC1)C(=C)C
cas number :5989-27-5
(EINECS) number :227-813-5
eu annex :601-029-00-7
fema number :2633
coe number :491
jecfa number :1326
fl. number :01.045
molar refractivity :45.35 ± 0.3 cm3
parachor :368.2 ± 4.0 cm3
index of refraction :1.467 ± 0.02
surface tension :25.8 ± 3.0 dyne/cm
density :0.834 ± 0.06 g/cm3
polarizability :17.98 ± 0.5 10-24cm3
XlogP : 3.70
molecular weight : 136.2340400 (IUPAC)
formula :C10 H16
pherobase :view
NMR Predictor :Predict
 
 
IUPAC name :(4R)-1-methyl-4-prop-1-en-2-ylcyclohexene
InChI :InChI=1/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,10H,1,5-7H2,2-3H3/t10-/m0/s1
InChIKey :XMGQYMWWDOXHJM-JTQLQIEIBU
SMILES :CC1=CC[C@@H](CC1)C(=C)C
cas number :5989-27-5  (R)
fema number :2633
molar refractivity :45.35 ± 0.3 cm3
parachor :368.2 ± 4.0 cm3
index of refraction :1.467 ± 0.02
surface tension :25.8 ± 3.0 dyne/cm
density :0.834 ± 0.06 g/cm3
polarizability :17.98 ± 0.5 10-24cm3
XlogP : 3.70
molecular weight : 136.2340400 (IUPAC)
formula :C10 H16
BioActivity Analysis :48413942
NMR Predictor :Predict
 
 
export tariff code :2902.19.0050
fda reg :182.60
Suppliers :
Berje :dextro-Limonene
Berje :dextro-Limonene
Redistilled
Citrus and Allied Essences :D'Limonene
Citrus and Allied Essences :D'Limonene
(high purity, low odor)
Fleurchem :dextro-limonene
natural
Fleurchem :dextro-limonene
Moellhausen :limonene R+ SP
95% min. natural kosher
Odor:  citric, terpenic, orange note.
Moellhausen :limonene R+ ST
90% min. nature identical kosher
Odor:  citric, terpenic, orange note.
Nippon Terpene :d-Limonene
93% up
Penta :dextro-limonene
Polarome :d-LIMONENE
Sigma-Aldrich-SAFC :(R)-(+)-Limonene
≥93%, Kosher
Odor:  lemon; orange; citrus; sweet
Symrise :Limonene d pure
Takasago :d-Limonene Rectified
≥90% as Limonene
Odor:  Fresh, light and sweet citrusy.
Vigon :Limonene Dextro
Redistilled 99%
organoleptics :
odor type :citrus
odor strength :medium
odor description¹ :
at 100.00 %.  		citrus orange fresh sweet
odor sample from :CA Aromatics Company Inc.
odor description³ :
Sweet, citrus and peely
taste description³ :
at 30.00 ppm.  		Sweet, orange, citrus and terpy
substantivity :4  Hour(s)
properties :
appearence :colorless to pale yellow clear liquid
assay : 96.00 to 100.00 %   
Food Chemicals Codex Listed :Yes
specific gravity :0.83800 to 0.84300 @ 25.00 °C.
pounds per gallon - calc. : 6.973 to 7.015
specific gravity :0.83700 to 0.84500 @ 25.00 °C.
pounds per gallon - calc. : 6.965 to 7.031
refractive index :1.47100 to 1.47700 @ 20.00 °C.
optical rotation :+87.00 to +102.00
melting point : -96.00 °C. @ 760.00 mm Hg
boiling point : 175.00 to 177.00 °C. @ 760.00 mm Hg
acid value : 5.00  max.  KOH/g
vapor pressure :1.20000 mm/Hg @ 20.00 °C.
vapor density :4.7 ( Air = 1 )
flash point : 117.00  °F.  TCC  ( 47.22 °C. )
logP (o/w) : 4.57
shelf life : 12.00 month(s) or longer if stored properly.
storage :store in cool, dry place in tightly sealed containers, protected from heat and light.  store under nitrogen.
safety :
most important hazard(s) :Xi N - Irritant, Dangerous for the environment.
  R 10 - Flammable.
R 36/38 - Irritating to skin and eyes.
R 43 - May cause sensitisation by skin contact.
R 50/53 - Very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment.
R 65 - Harmful: may cause lung damage if swallowed.
S 02 - Keep out of the reach of children.
S 16 - Keep away from sources of ignition - No Smoking.
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 36 - Wear suitable protective clothing.
S 61 - Avoid release to the environment. Refer to special instructions/safety data sheet.
Human experience : 4 % solution: no irritation or sensitization.
Oral Toxicity(LD50) :
  Oral-Rat   [sex: M]  >5000.00  mg/kg
(Moreno, 1972m)

Oral-Rat   [sex: M,F]  M:4400 F:5100  mg/kg
(Tsuji et al., 1975a)

Oral-Mouse   [sex: M,F]  M:5600 F:6600  (Tsuji et al., 1975a)

Dermal Toxicity(LD50) :
  Skin-Rabbit  >5000.00  mg/kg
FCTXAV  13,825,1975

Subcutaneous-Mouse  3170.00  mg/kg

Inhalation Toxicity(LC50) :
  Not determined
 
safety in use :
Maximised Survey-derived Daily Intakes (MSDI-EU) :33542.00 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA) :12726.00 (μg/capita/day)
Structure Class :I
 
IFRA other specification :< 20 mmoles / L of peroxides
IFRA fragrance material specification :
 Limonene and natural products containing substantial amounts of it, should only be used when the level of peroxides is kept to the lowest practical level, for instance by adding antioxidants at the time of production. Such products should have a peroxide value of less than 20 millimoles peroxide per liter. (IFRA guidelines).
recommendation for dextro-limonene fragrance usage levels up to :
  20.0000 % in the fragrance concentrate.
recommendation for dextro-limonene flavor usage levels up to :
  2300.0000 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...
msds :msds
EPI System :view
EPA-Iris :IRIS
NIOSH International Chemical Safety Cards :search
NLM Hazardous Substances Data Bank :search
IFRA :IFRA - ( Found under : Limonene )
Chemical Carcinogenesis Research Information System :Search
Carcinogenic Potency Database :Search
NLM Developmental and Reproductive Toxicity :Search
National Toxicology Program :Search
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
SCCNFP :opinion
WISER :UN 2319
 
WGK Germany :2
 
 
 
 
1-methyl-4-prop-1-en-2-ylcyclohexene
(EINECS) number :227-813-5
RTECS :5989-27-5
chemidplus :005989275
EPA/NOAA CAMEO :hazardous materials
EPA Substance Registry Services :5989-27-5
 
(4R)-1-methyl-4-prop-1-en-2-ylcyclohexene
references :
Leffingwell :chirality
 
1-methyl-4-prop-1-en-2-ylcyclohexene
fl. number :01.045
jecfa number :1326
NIST Chemistry WebBook :1117605828
pubchem :204090
Flavornet :5989-27-5
 
(4R)-1-methyl-4-prop-1-en-2-ylcyclohexene
pubchem :48420928
Cosmetics :
Cosmetic uses : masking agents
perfuming agents
other :
reference : Luebke, William tgsc, (1988)¹
reference : Mosciano, Gerard P&F 19, No. 3, 51, (1994)³
CosIng :cosmetic data
VCF-Online: VCF Volatile Compounds in Food
 C of A
RIFM :listed
FMA :listed
FDA Everything Added to Food in the United States (EAFUS)View
Household Products : Search
synonyms :
 carvene
(+)-limonene
(+)-(4R)-limonene
(+)-alpha-limonene
(+)-R-limonene
(4R)-(+)-limonene
(R)-(+)-limonene
(+)-para-mentha-1,8-diene
(R)-(+)-para-mentha-1,8-diene
dextro-para-mentha-1,8-diene
(+)-1,8-para-menthadiene
1,8 9-para-menthadiene
(R)-1-methyl-4-(1-methyl ethenyl) cyclohexene
(R)-1-methyl-4-isopropenyl-1-cyclohexene
(4R)-1-methyl-4-prop-1-en-2-ylcyclohexene
(+)-4-isopropenyl-1-methyl cyclohexene
4-isopropenyl-1-methyl cyclohexene
soluble in :
 alcohol
 fixed oils
 kerosene
 paraffin oil
 water, 14 mg/L @ 25C
insoluble in :
 water
 propylene glycol
potential blenders :
 allyl amyl glycolateFR
 allyl cyclohexyl propionateFL/FR
 allyl hexanoateFL/FR
isoamyl acetateFL/FR
isoamyl butyrateFL/FR
isoamyl isovalerateFL/FR
para-anisyl acetateFL/FR
 benzyl acetateFL/FR
 benzyl propionateFL/FR
 bergamot oilFL/FR
 blood orange oilFL/FR
 camphor oilFL/FR
 citralFL/FR
 citronella oils 
 citronellyl acetateFL/FR
 citrus carbaldehydeFR
 clary sage oilFL/FR
 coriander seed oilFL/FR
 cypress oilFR
 decanalFL/FR
 decanolFL/FR
 diethyl malonateFL/FR
 dihydromyrcenolFL/FR
 ethyl acetoacetateFL/FR
 ethyl butyrateFL/FR
 ethyl heptanoateFL/FR
 eucalyptus oilFL/FR
 fir needle oilFL/FR
 floral pyranolFR
 frankincense oilFL/FR
 galbanum oilFL/FR
 geraniolFL/FR
 geranyl acetateFL/FR
 ginger root oilFL/FR
 grapefruit oilFL/FR
 grapefruit pentanolFR
 green acetateFR
(Z)-3-hexen-1-olFL/FR
(Z)-3-hexen-1-yl acetateFL/FR
 hexyl isovalerateFL/FR
 ho leaf oilFL/FR
 hyacinth etherFR
2,4-ivy carbaldehydeFL/FR
 leaf acetalFL/FR
 lemon oilFL/FR
 lemongrass oilFL/FR
 lime oilFL/FR
 linaloolFL/FR
laevo-linaloolFL/FR
 linalool oxideFL/FR
 linalyl acetateFL/FR
 litsea cubeba oilFL/FR
 methyl dihydrojasmonateFL/FR
 methyl heptenoneFL/FR
 nerolFL/FR
 neryl acetateFL/FR
 nonanalFL/FR
 nonanolFL/FR
 nopyl acetateFR
 ocean propanalFL/FR
 octanalFL/FR
 orange oilFL/FR
 orange oil bitterFL/FR
 pepper oil blackFL/FR
 petitgrain oilFL/FR
 phenethyl acetateFL/FR
 spruce oilFL/FR
 styralyl acetateFL/FR
alpha-terpineolFL/FR
alpha-terpinyl acetateFL/FR
 tetrahydrolinaloolFL/FR
 tetrahydromyrcenolFR
 verbena oilFL
 wintergreen oilFL/FR
 woody acetateFR
 woody amyleneFR
potential uses :
 banana
 bergamot
 bubblegum
 caraway
 carrot
 celery
 cherry
 citrus
 coffee
 cola
 dill
 elemi
 erigeron
 evergreen
 floral
 fruit juicy fruit
 grapefruit
 grenadine
 herbal
 lemon
 lime
 lotus
 mandarin
 mint
 neroli
 nutmeg
 orange
 petitgrain lemon petitgrain
 pineapple
 raspberry
 sassafras
 spearmint
 spice
 tutti frutti
natural occurrence in :
 grapefruit S
 lemon  
 lime  
 nutmeg S
 orange  
 pepper  
data pagetea tree oil australia @ 0.51% S


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