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
formula :C10 H16
 

 
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
formula :C10 H16
BioActivity Analysis :48413942
 

 
export tariff code :2902.19.0050
fda reg :182.60

Suppliers :
Berje :dextro-Limonene
Berje :dextro-Limonene
Redistilled
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.
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 description :¹
at 100.00 %.  
citrus orange fresh sweet
odor sample from :CA Aromatics Company Inc.
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 : 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)
 
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 usage levels up to :
  20.0000 % in the fragrance concentrate.
recommendation for dextro-limonene 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 :
 1-methyl-4-prop-1-en-2-ylcyclohexene
fl. number :01.045
jecfa number :1326
NIST Chemistry WebBook :1117605828
pubchem :204090
 (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
CosIng :cosmetic data
VCF-Online: VCF Volatile Compounds in Food
 C of A
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

(odor and/or flavor) blends with :
 allyl amyl glycolate
 allyl cyclohexyl propionate
 allyl hexanoate
isoamyl acetate
isoamyl butyrate
isoamyl isovalerate
para-anisyl acetate
 benzyl acetate
 benzyl propionate
 bergamot oil
 blood orange oil
 camphor oil
 citral
 citronella oils
 citronellyl acetate
 citrus carbaldehyde
 clary sage oil
 coriander seed oil
 cypress oil
 decanal
 decanol
 diethyl malonate
 dihydromyrcenol
 ethyl acetoacetate
 ethyl butyrate
 ethyl heptanoate
 eucalyptus oil
 fir needle oil
 floral pyranol
 frankincense oil
 galbanum oil
 geraniol
 geranyl acetate
 ginger root oil
 grapefruit oil
 grapefruit pentanol
 green acetate
(Z)-3-hexen-1-ol
(Z)-3-hexen-1-yl acetate
 hexyl isovalerate
 ho leaf oil
 hyacinth ether
2,4-ivy carbaldehyde
 leaf acetal
 lemon oil
 lemongrass oil
 lime oil
 linalool
laevo-linalool
 linalool oxide
 linalyl acetate
 litsea cubeba oil
 methyl dihydrojasmonate
 methyl heptenone
 nerol
 neryl acetate
 nonanal
 nonanol
 nopyl acetate
 ocean propanal
 octanal
 orange oil
 orange oil bitter
 pepper oil black
 petitgrain oil
 phenethyl acetate
 spruce oil
 styralyl acetate
alpha-terpineol
alpha-terpinyl acetate
 tetrahydrolinalool
 tetrahydromyrcenol
 verbena oil
 wintergreen oil
 woody acetate
 woody amylene

(odor and/or flavor) used in :
 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
lemon
lime
nutmeg
orange
pepper
data pagetea tree oil australia @ 0.51%



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