ChemicalBook--->CAS DataBase List--->4221-98-1

4221-98-1

4221-98-1 Structure

4221-98-1 Structure
IdentificationMore
[Name]

(-)-P-MENTHA-1,5-DIENE
[CAS]

4221-98-1
[Synonyms]

(-)-2-METHYL-5-ISOPROPYL-1,3-CYCLOHEXADIENE
(-)-5-ISOPROPYL-2-METHYL-1,3-CYCLOHEXADIENE
ALPHA-PHELLANDRENE
PHELLANDRENE, R-(-)-ALPHA-
(-)-P-MENTHA-1,5-DIENE
P-MENTHA-1,5-DIENE
(R)-5-ISOPROPYL-2-METHYL-1,3-CYCLOHEXADIENE
R(-)-ALPHA-PHELLANDRENE
(-)-α-phellandrene
(R)-2-methyl-5-(1-methylethyl)-1,3-cyclohexadiene
1,3-cyclohexadiene,2-methyl-5-(1-methylethyl)-,(R)-
1-phellandrene
2-methyl-5-(1-methylethyl)-3-cyclohexadien(theta)-
3-Cyclohexadiene,2-methyl-5-(1-methylethyl)-,(R)-1
p-mentha-1,5-diene,(R)-(-)-
α-phellandrene,(-)-
(R)-5-isopropyl-2-methylcyclohexa-1,3-diene
1,3-Cyclohexadiene, 2-methyl-5-(1-methylethyl)-, (5R)-
L-ALPHA-PHELLANDRENE
R-(-)-A-PHELLANDRENE WITH GC
[EINECS(EC#)]

224-167-6
[Molecular Formula]

C10H16
[MDL Number]

MFCD00062988
[Molecular Weight]

136.23
[MOL File]

4221-98-1.mol
Chemical PropertiesBack Directory
[alpha ]

D20 -217°
[Boiling point ]

171-174 °C(lit.)
[density ]

0.844 g/mL at 20 °C(lit.)
[vapor pressure ]

2.35hPa at 20℃
[refractive index ]

n20/D 1.475
[Fp ]

49 °C
[storage temp. ]

2-8°C
[solubility ]

Benzene (Sparingly), Ethyl Acetate (Slightly)
[form ]

clear liquid
[color ]

Colorless to Light yellow to Light orange
[Odor]

at 100.00 %. terpene spicy medicinal
[Odor Type]

terpenic
[Optical Rotation]

[α]20/D 225±5°, c = 10% in diethyl ether
[Water Solubility ]

4.37mg/L at 20℃
[Merck ]

7200
[BRN ]

2497824
[Henry's Law Constant]

3.4×10-4 mol/(m3Pa) at 25℃, Schuhfried et al. (2015)
[Cosmetics Ingredients Functions]

PERFUMING
[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-SNVBAGLBSA-N
[SMILES]

CC(C)[C@H]1CC=C(C)C=C1
[LogP]

5.74 at 21.6℃
[CAS DataBase Reference]

4221-98-1(CAS DataBase Reference)
[EPA Substance Registry System]

1,3-Cyclohexadiene, 2-methyl-5-(1-methylethyl)-, (5R)- (4221-98-1)
Safety DataBack Directory
[Risk Statements ]

R10:Flammable.
[RIDADR ]

UN 2319 3/PG 3
[WGK Germany ]

3
[F ]

23
[TSCA ]

TSCA listed
[HS Code ]

2902.19.0050
[REACH Registrations]

Active
[HazardClass ]

3
[PackingGroup ]

III
[Storage Class]

3 - Flammable liquids
[Hazard Classifications]

Aquatic Acute 1
Aquatic Chronic 1
Asp. Tox. 1
Flam. Liq. 3
Skin Sens. 1B
Hazard InformationBack Directory
[Chemical Properties]

(?)-α-Phellandrene is a colorless liquid with a citrus odor and a slight peppery note. It is isolated, for example, from Eucalyptus dives oil. Pinenes are widespread, naturally occurring terpene hydrocarbons. The α- and β-forms occur in varying ratios in essential oils.
[Uses]

(R)-(-)-α-Phellandrene undergoes [4+2] cycloaddition with 2-naphthyl acetylenecarboxylate to form a chiral diene, which can act as a ligand for the rhodium-catalyzed asymmetric addition reactions. It may be used to synthesize (1S,5R)-5-(1-methylethyl)-2-methylidene-3-cyclohexen-1-yl hydroperoxide, which on reduction forms trans-yabunikkeol.
[Definition]

ChEBI: (-)-alpha-phellandrene is the (R)-(-)-stereoisomer of alpha-phellandrene. It is an enantiomer of a (+)-alpha-phellandrene.
[General Description]

(R)-(-)-α-Phellandrene is a monoterpene derivative.
[Flammability and Explosibility]

Flammable
[Purification Methods]

Purify it by gas chromatography on an Apiezon column. Also purify it by steam distillation (with 0.5% hydroquinone), then re-distil it through a 50 plate bubble cap column b 72-72.5o/22mm [Pines & Eschinazi J Am Chem Soc 77 6318 1955]. UV: max 263nm ( 3,345) in octane. [Read & Storey J Chem Soc 2770 1930, Beilstein 5 III 341, 5 IV 436.]
[Toxics Screening Level]

The screening level is being set at the default of 0.1 μg/m3 with annual averaging.
Well-known Reagent Company Product InformationBack Directory
[Sigma Aldrich]

4221-98-1(sigmaaldrich)
[TCI AMERICA]

(-)-alpha-Phellandrene,>65.0%(GC)(4221-98-1)
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