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(R)-(-)-alpha-phellandrene

Chemical Structure

General Material Information

Preferred name (R)-(-)-alpha-phellandrene
Trivial Name (-)-α-Phellandrene
Short Description 1,3-cyclohexadiene, 2-methyl-5-(1-methylethyl)-, (5R)-
Formula C10 H16
CAS Number 4221-98-1
ECHA Number 224-167-6
FDA UNII 56UV8X65K0
Nikkaji Number J9.340H
Beilstein Number 2497824
MDL MFCD00062988
COE Number 2117
xLogP3-AA 3.20 (est)
Bio Activity Summary External link
NMR Predictor External link
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
  • iso propyl methyl cyclohexadiene
  • (R)-5-iso propyl-2-methyl cyclohexa-1,3-diene
  • (R)-5-iso propyl-2-methyl-1,3-cyclohexadiene
  • (5R)-5-iso propyl-2-methylcyclohexa-1,3-diene
  • (R)-5-iso propyl-2-methylcyclohexa-1,3-diene
  • iso propylmethylcyclohexadiene
  • (5R)-2-methyl-5-propan-2-ylcyclohexa-1,3-diene
  • 1,3-Cyclohexadiene, 2-methyl-5-(1-methylethyl)-, (5R)-
  • p-Mentha-1,5-diene, (R)-(-)-
  • 1,3-Cyclohexadiene, 2-methyl-5-(1-methylethyl)-, (R)-
  • p-Mentha-1,5-diene, (-)-
  • (5R)-2-Methyl-5-(1-methylethyl)-1,3-cyclohexadiene
  • (-)-α-Phellandrene
  • l-α-Phellandrene
  • α-Phellandrene, (-)-
  • (-)-(R)-α-Phellandrene
  • (R)-(-)-α-Phellandrene
  • (R)-α-Phellandrene
  • (R)-5-Isopropyl-2-methylcyclohexa-1,3-diene

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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

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 136.23751831055
Specific gravity @ 25 °C
Pounds per Gallon 7.722 to 7.772
Refractive Index 1.495 to 1.501 @ 20 °C
Boiling Point 171 to 173°C @ 760 mm Hg
Vapor Pressure 1.856 mmHg @ 25 °C
Flash Point TCC Value 43.33 °C TCC
logP (o/w) 4.408 est
Shelf life 12 months (or longer if stored properly.)
Storage notes Refrigerate in tightly sealed containers.
Solubility
alcohol Yes
dipropylene glycol Yes
paraffin oil Yes
water, 2.862 mg/L @ 25 °C (est) Yes
water No

Organoleptic Properties

Odor Type: Terpenic
terpenic, spicy, medicinal
General comment At 100.00 %. terpene spicy medicinal

Occurrences

Potential Uses

Applications
Odor purposes Cypress oil replacer , Herbal , Lavandin , Lavender , Pine
Other purposes Fir
Cosmetic purposes Perfuming agents

Safety Information

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