logo
Home Associations Categories Industry news Contact us
;

(R)-(-)-alpha-phellandrene

flavor and fragrance agents
2D:
3D:
CAS Number: 4221-98-1
ECHA EC Number: 224-167-6
FDA UNII: 56UV8X65K0
CoE Number: 2117
Category: flavor and fragrance agents
IUPAC Name: (R)-(-)-alpha-phellandrene
InChI : InChI=1/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4-6,8,10H,7H2,1-3H3/t10-/m1/s1
Std.InChI: InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4-6,8,10H,7H2,1-3H3/t10-/m1/s1
InChIKey : OGLDWXZKYODSOB-SNVBAGLBBT
Std.InChIKey: OGLDWXZKYODSOB-SNVBAGLBSA-N
SMILES : CC1=CC[C@@H](C=C1)C(C)C
MDL: MFCD00062988
Molar Refractivity : 45.44 ± 0.3 cm3 (est)
Parachor : 368.3 ± 6.0 cm3 (est)
Index of Refraction : 1.469 ± 0.02 (est)
Surface Tension : 25.9 ± 3.0 dyne/cm (est)
Density : 0.835 ± 0.06 g/cm3 (est)
Polarizability : 18.01 ± 0.5 10-24cm3 (est)

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
PubMed:Search
NCBI:Search

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 mmHg @ 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

Organoleptic Properties:

terpenic spicy medicinal

Cosmetic Information:

CosIng:cosmetic data
Cosmetic Uses: perfuming agents

Suppliers:

BOC Sciences
For experimental / research use only.
(R)-(-)-Phellandrene 95%
Ernesto Ventós
PHELLANDRENE, ALPHA NATURAL >70%
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)

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

Safety in Use Information:

Category:
flavor and fragrance agents
RIFM Fragrance Material Safety Assessment: Search
IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice
Recommendation for (R)-(-)-alpha-phellandrene usage levels up to:
4.0000 % in the fragrance concentrate.

Safety References:

EPI System: View
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
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

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

Other Information:

(IUPAC):Atomic Weights of the Elements 2011 (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

Potential Blenders and core components :

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
ambrette seed oil
FL/FR
angelica root oil
FL/FR
cistus ladaniferus resinoid
FL/FR
anise
anise seed oil
FL/FR
sweet
fennel seed oil
FL/FR
anisic
para-
anisaldehyde
FL/FR
balsamic
amyris wood oil
FL/FR
siam
benzoin resinoid
FL/FR
benzyl cinnamate
FL/FR
benzyl salicylate
FL/FR
laevo-
bornyl acetate
FL/FR
iso
bornyl acetate
FL/FR
iso
butyl cinnamate
FL/FR
cinnamyl alcohol
FL/FR
clover nitrile
FR
croton glabellus bark extract
FL/FR
ethyl cinnamate
FL/FR
fir balsam absolute
FR
mastic oil
FL/FR
methyl (E)-cinnamate
FL/FR
3-
phenyl propyl alcohol
FL/FR
berry
raspberry ketone
FL/FR
camphoreous
camphor tree bark oil
FL/FR
citrus
dihydromyrcenol
FL/FR
fatty
decanol
FL/FR
floral
iso
amyl salicylate
FL/FR
bois de rose oil brazil
FL/FR
iso
butyl salicylate
FL/FR
coriander seed oil
FL/FR
cyclamen aldehyde
FL/FR
cyclohexyl ethyl alcohol
FL/FR
dimethyl benzyl carbinyl acetate
FL/FR
floral pyranol
FR
geranium oil bourbon
FL/FR
heliotropin
FL/FR
heliotropyl acetone
FL/FR
heliotropyl diethyl acetal
FR
(Z)-3-
hexen-1-yl salicylate
FL/FR
alpha-
hexyl cinnamaldehyde
FL/FR
hyacinth ether
FR
leerall
FR
linalool
FL/FR
laevo-
linalool
FL/FR
linalool oxide
FL/FR
methyl dihydrojasmonate
FL/FR
mimosa absolute france
FL/FR
ocean propanal
FL/FR
orris pyridine 25% IPM
FR
phenethyl acetate
FL/FR
phenethyl alcohol
FL/FR
tetrahydrolinalool
FL/FR
fresh
10-
undecen-1-yl acetate
FL/FR
fruity
allyl amyl glycolate
FR
green acetate
FR
strawberry glycidate 1 (aldehyde C-16 (so-called))
FL/FR
green
galbanum oil
FL/FR
(Z)-3-
hexen-1-ol
FL/FR
(Z)-3-
hexen-1-yl acetate
FL/FR
(Z)-3-
hexen-1-yl tiglate
FL/FR
hexyl tiglate
FL/FR
2,4-
ivy carbaldehyde
FL/FR
(Z)-
leaf acetal
FL/FR
phenyl acetaldehyde dimethyl acetal
FL/FR
hay
hay absolute
FR
herbal
ajowan seed oil
FL/FR
anthemis nobilis flower oil roman
FL/FR
carum carvi fruit oil
FL/FR
clary sage oil france
FL/FR
laurus nobilis leaf oil
FL/FR
abrialis
lavandin oil
FL/FR
lavender absolute bulgaria
FL/FR
spike
lavender oil
FL/FR
linalyl acetate
FL/FR
myrtle oil
FL/FR
nopyl acetate
FR
origanum oil greece
FL/FR
rosemary oil spain
FL/FR
sabinene hydrate
FL/FR
alpha-
terpinyl acetate
FL/FR
thyme absolute
FL/FR
licorice
(E)-
anethol
FL/FR
marine
marine pyridine
FR
medicinal
2-
hydroxybenzaldehyde
FL/FR
summer
savory oil
FL/FR
minty
pennyroyal oil
FL/FR
mossy
oakmoss absolute
FL/FR
treemoss absolute
FR
veramoss (IFF)
FR
phenolic
ortho-
guaiacol
FL/FR
methyl benzoate
FL/FR
powdery
para-
anisyl alcohol
FL/FR
spicy
allspice oil
FL/FR
angelica oil
FL/FR
cassia bark oil china
FL/FR
clove bud oil
FL/FR
cubeb oil CO2 extract (piper cubeba)
FL/FR
eugenol
FL/FR
galangal root oil
FL/FR
ginger oil terpenes
FR
ginger root oil
FL/FR
ginger root oil cochin
FL/FR
methyl isoeugenol
FL/FR
nutmeg oleoresin
FL/FR
ocimum gratissimum herb oil india
FR
black
pepper oil
FL/FR
terpeneless black
pepper oil
FL/FR
pimenta acris leaf oil
FL/FR
tea tree oil
FR
terpenic
cypress leaf oil
FR
frankincense oil
FL/FR
juniperus communis fruit oil
FL/FR
alpha-
terpineol
FL/FR
thujonic
armoise oil
FR
sage oil dalmatian
FL/FR
tonka
flouve absolute
FR
tonka bean absolute
FR
vanilla
ethyl vanillin
FL/FR
vanilla bean absolute (vanilla planifolia)
FL/FR
vanillyl acetate
FL/FR
waxy
decyl acetate
FL/FR
1-
dodecanol
FL/FR
ethyl laurate
FL/FR
woody
camphene
FL/FR
cedrela wood oil
FR
cistus twig/leaf oil
FL/FR
guaiacwood oil
FL/FR
methyl cedryl ketone
FL/FR
patchouli ethanone
FR
patchouli oil
FL/FR
4-iso
propyl phenol
FL/FR
santall
FR
spruce needle oil canada
FL/FR
thuja occidentalis leaf oil
FL/FR
vetiver oil haiti
FL/FR
woody acetate
FR
woody propanol
FR
For Flavor
No flavor group found for these
cistus ladaniferus resinoid
FL/FR
croton glabellus bark extract
FL/FR
methyl (E)-cinnamate
FL/FR
aldehydic
aldehydic
nonanal (aldehyde C-9)
FL/FR
amber
ambrette seed oil
FL/FR
anise
(E)-
anethol
FL/FR
anise seed oil
FL/FR
sweet
fennel seed oil
FL/FR
balsamic
siam
benzoin resinoid
FL/FR
benzyl salicylate
FL/FR
laevo-
bornyl acetate
FL/FR
iso
butyl cinnamate
FL/FR
ethyl cinnamate
FL/FR
mastic oil
FL/FR
berry
heliotropyl acetone
FL/FR
raspberry ketone
FL/FR
burnt
4-iso
propyl phenol
FL/FR
camphoreous
camphene
FL/FR
camphor tree bark oil
FL/FR
cherry
heliotropin
FL/FR
citrus
linalool
FL/FR
laevo-
linalool
FL/FR
alpha-
terpineol
FL/FR
cooling
iso
butyl salicylate
FL/FR
spike
lavender oil
FL/FR
sabinene hydrate
FL/FR
creamy
para-
anisaldehyde
FL/FR
fatty
10-
undecenal (aldehyde C-11 undecylenic)
FL/FR
floral
bois de rose oil brazil
FL/FR
dimethyl benzyl carbinyl acetate
FL/FR
geranium oil bourbon
FL/FR
linalyl acetate
FL/FR
methyl dihydrojasmonate
FL/FR
ocean propanal
FL/FR
phenethyl alcohol
FL/FR
tetrahydrolinalool
FL/FR
fruity
para-
anisyl alcohol
FL/FR
strawberry glycidate 1 (aldehyde C-16 (so-called))
FL/FR
greasy
10-
undecen-1-yl acetate
FL/FR
green
iso
amyl salicylate
FL/FR
angelica root oil
FL/FR
cinnamyl alcohol
FL/FR
cyclamen aldehyde
FL/FR
cyclohexyl ethyl alcohol
FL/FR
dihydromyrcenol
FL/FR
galbanum oil
FL/FR
(Z)-3-
hexen-1-ol
FL/FR
(Z)-3-
hexen-1-yl acetate
FL/FR
(Z)-3-
hexen-1-yl salicylate
FL/FR
(Z)-3-
hexen-1-yl tiglate
FL/FR
hexyl tiglate
FL/FR
2,4-
ivy carbaldehyde
FL/FR
(Z)-
leaf acetal
FL/FR
linalool oxide
FL/FR
oakmoss absolute
FL/FR
phenyl acetaldehyde dimethyl acetal
FL/FR
herbal
ajowan seed oil
FL/FR
anthemis nobilis flower oil roman
FL/FR
carum carvi fruit oil
FL/FR
clary sage oil france
FL/FR
coriander seed oil
FL/FR
laurus nobilis leaf oil
FL/FR
abrialis
lavandin oil
FL/FR
lavender absolute bulgaria
FL/FR
origanum oil greece
FL/FR
rosemary oil spain
FL/FR
thyme absolute
FL/FR
honey
phenethyl acetate
FL/FR
medicinal
summer
savory oil
FL/FR
minty
pennyroyal oil
FL/FR
phenolic
methyl benzoate
FL/FR
soapy
dodecanal (aldehyde C-12 lauric)
FL/FR
1-
dodecanol
FL/FR
spicy
allspice oil
FL/FR
angelica oil
FL/FR
benzyl cinnamate
FL/FR
cassia bark oil china
FL/FR
clove bud oil
FL/FR
cubeb oil CO2 extract (piper cubeba)
FL/FR
eugenol
FL/FR

Potential Uses:

FRcypress oil replacer
fir
FRherbal
FRlavandin
FRlavender
FRpine

Occurrence (nature, food, other):

found in nature
melaleuca alternifolia leaf oil @ trace%
Data GC Search Trop Picture

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

Articles:

PubMed:Biotransformation of (-)-(R)-α-phellandrene: antimicrobial activity of its major metabolite.
PubMed:Synthesis and chemistry of 2,3-dioxabicyclo[2.2.2]octane-5,6-diols.
PubMed:Selectivity in the electron transfer catalyzed Diels-Alder reaction of (R)-alpha-phellandrene and 4-methoxystyrene.
PubMed:Simple chiral diene ligands provide high enantioselectivities in transition-metal-catalyzed conjugate addition reactions.
CONTENTS
EU/US Properties Organoleptic EU/US Suppliers Safety Safety in use Safety reference References Other Blenders Uses Occurrence Synonyms Articles
Copyright © 2023 All Rights Reserved