(R)-(-)-alpha-phellandrene
1,3-cyclohexadiene, 2-methyl-5-(1-methylethyl)-, (5R)-
 
Notes:
None found
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      Product(s):
      M0051 (-)-a-Phellandrene >65.0%(GC)
       
Synonyms   Articles   Notes   Search
(5R)-2-methyl-5-propan-2-ylcyclohexa-1,3-diene (Click)
CAS Number: 4221-98-1Picture of molecule
ECHA EINECS - REACH Pre-Reg: 224-167-6
FDA UNII: 56UV8X65K0
Nikkaji Web: J9.340H
Beilstein Number: 2497824
MDL: MFCD00062988
CoE Number: 2117
XlogP3-AA: 3.20 (est)
Molecular Weight: 136.23752000
Formula: C10 H16
BioActivity Summary: listing
NMR Predictor: Predict (works with chrome or firefox)
EFSA/JECFA Comments: CASrn 35944-22-0 to be introduced in the Register.
Category: flavor and fragrance agents
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Google Scholar: Search
Google Books: Search
Google Scholar: with word "volatile"Search
Google Scholar: with word "flavor"Search
Google Scholar: with word "odor"Search
Perfumer and Flavorist: Search
Google Patents: Search
US Patents: Search
EU Patents: Search
Pubchem Patents: Search
Flavis Number: 01.065 (Old)
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Physical Properties:
Appearance: colorless to pale yellow clear liquid (est)
Assay: 95.00 to 100.00 % sum of isomers
Food Chemicals Codex Listed: No
Specific Gravity: 0.92800 to 0.93400 @  25.00 °C.
Pounds per Gallon - (est).: 7.722 to  7.772
Refractive Index: 1.49500 to 1.50100 @  20.00 °C.
Boiling Point: 171.00 to  173.00 °C. @ 760.00 mm Hg
Vapor Pressure: 1.856000 mm/Hg @ 25.00 °C. (est)
Flash Point: 110.00 °F. TCC ( 43.33 °C. )
logP (o/w): 4.408 (est)
Shelf Life: 12.00 month(s) or longer if stored properly.
Storage: refrigerate in tightly sealed containers.
Soluble in:
 alcohol
 dipropylene glycol
 paraffin oil
 water, 2.862 mg/L @ 25 °C (est)
Insoluble in:
 water
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Organoleptic Properties:
 
Odor Type: terpenic
 
Odor Strength: medium
 
 terpenic  spicy  medicinal  
Odor Description:
at 100.00 %. 
terpene spicy medicinal
 
Odor and/or flavor descriptions from others (if found).
 
 
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Cosmetic Information:
CosIng: cosmetic data
Cosmetic Uses: perfuming agents
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Suppliers:
BOC Sciences
For experimental / research use only.
(R)-(-)-Phellandrene 95%
Parchem
(R)-(-)-alpha-phellandrene
Santa Cruz Biotechnology
For experimental / research use only.
(R)-(-)-a-Phellandrene
Sigma-Aldrich: Aldrich
For experimental / research use only.
(R)-(-)-a-Phellandrene purum, ≥95.0% (sum of enantiomers, GC)
TCI AMERICA
For experimental / research use only.
(-)-a-Phellandrene >65.0%(GC)
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Safety Information:
Preferred SDS: View
European information :
Most important hazard(s):
Xn - Harmful.
R 10 - Flammable.
R 22 - Harmful if swallowed.
R 36/38 - Irritating to skin and eyes.
R 43 - May cause sensitisation by skin contact.
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.
 
Hazards identification
 
Classification of the substance or mixture
GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)
None found.
GHS Label elements, including precautionary statements
 
Pictogram
 
Hazard statement(s)
None found.
Precautionary statement(s)
None found.
Oral/Parenteral Toxicity:
Not determined
Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
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Safety in Use Information:
Category: flavor and fragrance agents
Recommendation for (R)-(-)-alpha-phellandrene usage levels up to:
  4.0000 % in the fragrance concentrate.
 
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Safety References:
Flavor & Extract Manufacturers Association (FEMA) reference(s):
The FEMA GRAS assessment of aliphatic and aromatic terpene hydrocarbons used as flavour ingredients.View pdf
EPI System: View
EPA Substance Registry Services (TSCA): 4221-98-1
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 442482
National Institute of Allergy and Infectious Diseases: Data
WISER: UN 2319
WGK Germany: 3
 (5R)-2-methyl-5-propan-2-ylcyclohexa-1,3-diene
Chemidplus: 0004221981
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References:
Leffingwell: Chirality or Article
 (5R)-2-methyl-5-propan-2-ylcyclohexa-1,3-diene
NIST Chemistry WebBook: Search Inchi
Canada Domestic Sub. List: 4221-98-1
Pubchem (cid): 442482
Pubchem (sid): 134985685
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Other Information:
(IUPAC): Atomic Weights of the Elements 2009
(IUPAC): Atomic Weights of the Elements 2009 (pdf)
Videos: The Periodic Table of Videos
tgsc: Atomic Weights use for this web site
(IUPAC): Periodic Table of the Elements
CHEBI: View
CHEMBL: View
KEGG (GenomeNet): C09875
HMDB (The Human Metabolome Database): HMDB35851
Export Tariff Code: 2902.19.0050
Typical G.C.
VCF-Online: VCF Volatile Compounds in Food
ChemSpider: View
Wikipedia: View
RSC Learn Chemistry: View
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Potential Blenders and core components note
 
For Odor
aldehydic
 decanal (aldehyde C-10)FL/FR
 dodecanal (aldehyde C-12 lauric)FL/FR
2-methyl undecanal (aldehyde C-12 mna)FL/FR
 nonanal (aldehyde C-9)FL/FR
10-undecenal (aldehyde C-11 undecylenic)FL/FR
amber
 angelica root oilFL/FR
 cistus ladaniferus resinoidFR
anise
 anise seed oilFL/FR
sweet fennel seed oilFL/FR
anisic
 ambrette seed oilFL/FR
para-anisaldehydeFL/FR
balsamic
 amyris wood oilFL/FR
siam benzoin resinoidFL/FR
 benzyl cinnamateFL/FR
 benzyl salicylateFL/FR
laevo-bornyl acetateFL/FR
isobornyl acetateFL/FR
isobutyl cinnamateFL/FR
 cinnamyl alcoholFL/FR
 clover nitrileFR
 croton glabellus bark extractFL/FR
 ethyl cinnamateFL/FR
 fir balsam absoluteFR
 mastic oilFL/FR
 methyl (E)-cinnamateFL/FR
3-phenyl propyl alcoholFL/FR
berry
 raspberry ketoneFL/FR
camphoreous
 camphor tree bark oilFL/FR
citrus
 dihydromyrcenolFL/FR
fatty
 decanolFL/FR
floral
isoamyl salicylateFL/FR
 bois de rose oil brazilFL/FR
isobutyl salicylateFL/FR
 coriander seed oilFL/FR
 cyclamen aldehydeFL/FR
 cyclohexyl ethyl alcoholFL/FR
 dimethyl benzyl carbinyl acetateFL/FR
 floral pyranolFR
 geranium oil bourbonFL/FR
 heliotropinFL/FR
 heliotropyl acetoneFL/FR
 heliotropyl diethyl acetalFR
(Z)-3-hexen-1-yl salicylateFL/FR
alpha-hexyl cinnamaldehydeFL/FR
 hyacinth etherFR
abrialis lavandin oilFL/FR
 leerallFR
laevo-linaloolFL/FR
 linaloolFL/FR
 linalool oxideFL/FR
 methyl dihydrojasmonateFL/FR
 mimosa absolute franceFL/FR
 ocean propanalFL/FR
 orris pyridine 25% IPMFR
 phenethyl acetateFL/FR
 phenethyl alcoholFL/FR
 tetrahydrolinaloolFL/FR
fresh
10-undecen-1-yl acetateFL/FR
fruity
 allyl amyl glycolateFR
 green acetateFR
 strawberry glycidate 1 (aldehyde C-16 (so-called))FL/FR
green
 galbanum oilFL/FR
(Z)-3-hexen-1-olFL/FR
(Z)-3-hexen-1-yl acetateFL/FR
(Z)-3-hexen-1-yl tiglateFL/FR
 hexyl tiglateFL/FR
2,4-ivy carbaldehydeFL/FR
(Z)-leaf acetalFL/FR
 phenyl acetaldehyde dimethyl acetalFL/FR
hay
 hay absoluteFR
herbal
 ajowan seed oilFL/FR
 anthemis nobilis flower oil romanFL/FR
 balsamite oil 
 carum carvi fruit oilFL/FR
 clary sage oil franceFL/FR
 lavender absolute bulgariaFL/FR
spike lavender oilFL/FR
 linalyl acetateFL/FR
 myrtle oilFL/FR
 nopyl acetateFR
 origanum oil greeceFL/FR
 rosemary oil spainFL/FR
 sabinene hydrateFL/FR
alpha-terpinyl acetateFL/FR
 thyme absoluteFL/FR
licorice
(E)-anetholFL/FR
marine
 marine pyridineFR
medicinal
2-hydroxybenzaldehydeFL/FR
summer savory oilFL/FR
minty
 pennyroyal oilFL/FR
mossy
 oakmoss absoluteFL/FR
 treemoss absoluteFR
 veramoss (IFF)FR
phenolic
ortho-guaiacolFL/FR
 methyl benzoateFL/FR
powdery
para-anisyl alcoholFL/FR
spicy
 allspice oilFL/FR
 angelica oilFL/FR
 cassia bark oil chinaFL/FR
 clove bud oilFL/FR
 cubeb oil CO2 extract (piper cubeba)FL/FR
 eugenolFL/FR
 galangal root oilFL/FR
 ginger oil terpenesFR
 ginger root oilFL/FR
 ginger root oil cochinFL/FR
 laurus nobilis leaf oilFL/FR
 methyl isoeugenolFL/FR
 nutmeg oleoresinFL/FR
 ocimum gratissimum herb oil indiaFR
black pepper oilFL/FR
terpeneless black pepper oilFL/FR
 pimenta acris leaf oilFL/FR
 tea tree oilFR
terpenic
 cypress leaf oilFR
 frankincense oilFL/FR
 juniperus communis fruit oilFL/FR
alpha-terpineolFL/FR
thujonic
 armoise oilFR
 sage oil dalmatianFL/FR
 thuja occidentalis leaf oilFL/FR
tonka
 flouve absoluteFR
 tonka bean absoluteFR
vanilla
 ethyl vanillinFL/FR
 vanilla bean absolute (vanilla planifolia)FL/FR
 vanillyl acetateFL/FR
waxy
 decyl acetateFL/FR
1-dodecanolFL/FR
 ethyl laurateFL/FR
woody
 campheneFL/FR
 cedrela wood oilFR
 cistus twig/leaf oilFL/FR
 guaiacwood oilFL/FR
 methyl cedryl ketoneFL/FR
 patchouli ethanoneFR
 patchouli oilFL/FR
4-isopropyl phenolFL/FR
 santallFR
 spruce needle oil canadaFL/FR
 vetiver oil haitiFL/FR
 woody acetateFR
 woody propanolFR
 
For Flavor
 
No flavor group found for these
 ambrette seed oilFL/FR
 balsamite oil 
 cistus twig/leaf oilFL/FR
 croton glabellus bark extractFL/FR
 laurus nobilis leaf oilFL/FR
 methyl (E)-cinnamateFL/FR
 thuja occidentalis leaf oilFL/FR
aldehydic
 nonanal (aldehyde C-9)FL/FR
anise
(E)-anetholFL/FR
 anise seed oilFL/FR
sweet fennel seed oilFL/FR
balsamic
siam benzoin resinoidFL/FR
 benzyl salicylateFL/FR
laevo-bornyl acetateFL/FR
isobutyl cinnamateFL/FR
 ethyl cinnamateFL/FR
 mastic oilFL/FR
berry
 heliotropyl acetoneFL/FR
 raspberry ketoneFL/FR
burnt
4-isopropyl phenolFL/FR
camphoreous
 campheneFL/FR
 camphor tree bark oilFL/FR
cherry
 heliotropinFL/FR
citrus
 linaloolFL/FR
laevo-linaloolFL/FR
alpha-terpineolFL/FR
cooling
isobutyl salicylateFL/FR
spike lavender oilFL/FR
 sabinene hydrateFL/FR
creamy
para-anisaldehydeFL/FR
fatty
10-undecenal (aldehyde C-11 undecylenic)FL/FR
floral
 bois de rose oil brazilFL/FR
 dimethyl benzyl carbinyl acetateFL/FR
 geranium oil bourbonFL/FR
 linalyl acetateFL/FR
 methyl dihydrojasmonateFL/FR
 ocean propanalFL/FR
 phenethyl alcoholFL/FR
 tetrahydrolinaloolFL/FR
fruity
para-anisyl alcoholFL/FR
 strawberry glycidate 1 (aldehyde C-16 (so-called))FL/FR
greasy
10-undecen-1-yl acetateFL/FR
green
isoamyl salicylateFL/FR
 angelica root oilFL/FR
 cinnamyl alcoholFL/FR
 cyclamen aldehydeFL/FR
 cyclohexyl ethyl alcoholFL/FR
 dihydromyrcenolFL/FR
 galbanum oilFL/FR
(Z)-3-hexen-1-olFL/FR
(Z)-3-hexen-1-yl acetateFL/FR
(Z)-3-hexen-1-yl salicylateFL/FR
(Z)-3-hexen-1-yl tiglateFL/FR
 hexyl tiglateFL/FR
2,4-ivy carbaldehydeFL/FR
(Z)-leaf acetalFL/FR
 linalool oxideFL/FR
 oakmoss absoluteFL/FR
 phenyl acetaldehyde dimethyl acetalFL/FR
herbal
 ajowan seed oilFL/FR
 anthemis nobilis flower oil romanFL/FR
 carum carvi fruit oilFL/FR
 clary sage oil franceFL/FR
 coriander seed oilFL/FR
abrialis lavandin oilFL/FR
 lavender absolute bulgariaFL/FR
 origanum oil greeceFL/FR
 rosemary oil spainFL/FR
 thyme absoluteFL/FR
honey
 phenethyl acetateFL/FR
medicinal
summer savory oilFL/FR
minty
 pennyroyal oilFL/FR
phenolic
 methyl benzoateFL/FR
soapy
 dodecanal (aldehyde C-12 lauric)FL/FR
1-dodecanolFL/FR
spicy
 allspice oilFL/FR
 angelica oilFL/FR
 benzyl cinnamateFL/FR
 cassia bark oil chinaFL/FR
 clove bud oilFL/FR
 cubeb oil CO2 extract (piper cubeba)FL/FR
 eugenolFL/FR
 galangal root oilFL/FR
 ginger root oilFL/FR
 ginger root oil cochinFL/FR
2-hydroxybenzaldehydeFL/FR
 methyl isoeugenolFL/FR
 myrtle oilFL/FR
 nutmeg oleoresinFL/FR
black pepper oilFL/FR
terpeneless black pepper oilFL/FR
3-phenyl propyl alcoholFL/FR
 pimenta acris leaf oilFL/FR
winter savory oilFL
terpenic
 juniperus communis fruit oilFL/FR
thujonic
 sage oil dalmatianFL/FR
vanilla
 ethyl vanillinFL/FR
 vanilla bean absolute (vanilla planifolia)FL/FR
 vanillyl acetateFL/FR
waxy
 decanal (aldehyde C-10)FL/FR
 decanolFL/FR
 decyl acetateFL/FR
 ethyl laurateFL/FR
alpha-hexyl cinnamaldehydeFL/FR
2-methyl undecanal (aldehyde C-12 mna)FL/FR
 mimosa absolute franceFL/FR
woody
 amyris wood oilFL/FR
isobornyl acetateFL/FR
 frankincense oilFL/FR
ortho-guaiacolFL/FR
 guaiacwood oilFL/FR
 methyl cedryl ketoneFL/FR
 patchouli oilFL/FR
 spruce needle oil canadaFL/FR
alpha-terpinyl acetateFL/FR
 vetiver oil haitiFL/FR
 
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Potential Uses:
 cypressFR
 fir 
 herbalFR
 lavandinFL/FR
 lavenderFR
 pineFR
Synonyms   Articles   Notes   Search   Top
Occurrence (nature, food, other): note
 found in nature
 melaleuca alternifolia leaf oil @ trace%
Data  GC  Search Trop  Picture
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Synonyms:
1,3-cyclohexadiene, 2-methyl-5-(1-methylethyl)-, (5R)-
1,3-cyclohexadiene, 2-methyl-5-(1-methylethyl)-, (R)-
(-)-p-mentha-1,5-diene
(-)-para-mentha-1,5-diene
(4R)-p-mentha-1,5-diene
(4R)-p-mentha-1(6),2-diene
(R)-5-(1-methyl ethyl)-2-methyl-1,3-cyclohexadiene
(theta)-2-methyl-5-(1-methyl ethyl)-1,3-cyclohexadiene
(5R)-2-methyl-5-(1-methylethyl)-1,3-cyclohexadiene
(R)-2-methyl-5-(1-methylethyl)-1,3-cyclohexadiene
(5R)-2-methyl-5-(propan-2-yl)cyclohexa-1,3-diene
(5R)-2-methyl-5-propan-2-ylcyclohexa-1,3-diene
(R)-5-(1-methylethyl)-2-methyl-1,3-cyclohexadiene
(-)-a-phellandrene
(R)-(-)-phellandrene
(R)-(-)-a-phellandrene
(R)-(-)-alpha-phellandrene
alpha-phellandrene laevo-form
isopropyl methyl cyclohexadiene
(R)-5-isopropyl-2-methyl cyclohexa-1,3-diene
(R)-5-isopropyl-2-methyl-1,3-cyclohexadiene
(5R)-5-isopropyl-2-methylcyclohexa-1,3-diene
(R)-5-isopropyl-2-methylcyclohexa-1,3-diene
isopropylmethylcyclohexadiene
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