β-Phellandrene
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β-Phellandrene
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CAS No:
555-10-2
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Formula:
C10H16
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Chemical Name:
β-Phellandrene
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Synonyms:
Cyclohexene,3-methylene-6-(1-methylethyl)-;p-Mentha-1(7),2-diene;3-Methylene-6-(1-methylethyl)cyclohexene;3-Isopropyl-6-methylene-1-cyclohexene;4-Isopropyl-1-methylene-2-cyclohexene;β-Phellandrene;(±)-β-Phellandrene;NSC 53044;beta-Phellandrene;51941-36-7
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CAS No:
Description
ChEBI: One of a pair of phellandrene cyclic monoterpene double-bond isomers in which one double bond is exocyclic (cf. alpha-phellandrene, where both of them are endoocyclic).
Liquid
Beta-phellandrene is one of a pair of phellandrene cyclic monoterpene double-bond isomers in which one double bond is exocyclic (cf. alpha-phellandrene, where both of them are endoocyclic). It has a role as a plant metabolite.
Characteristics
0
3.16480
Liquid
0.8517 g/cm3
171.5 °C
120 DEG F.
1.466
1.59 mmHg
4.68 (AIR= 1)
PLEASANT ODOR
BURNING TASTE
1.68e-10 cm3/molecule*sec
MOBILE OIL; PRACTICALLY INSOL IN WATER; SOL IN ETHER; INDEX OF REFRACTION: 1.4788 @ 20 °C/D; SPECIFIC OPTICAL ROTATION: +65.2 DEG @ 20 °C/D; BP: 171-172 °C @ 760 MM H;; DENSITY: 0.8520 @ 20 °C/4 °C /D-FORM/|MOBILE OIL; PRACTICALLY INSOL IN WATER; SOL IN ETHER; SPECIFIC OPTICAL ROTATION: -51.9 @ 20 °C/D; BP: 178-179 °C @ 758 MM HG; DENSITY: 0.8497 @ 15 °C/15 °C; INDEX OF REFRACTION: 1.4800 @ 20 °C /L-FORM/
Safety Information
III
3.2
UN 1993
P210, P233, P240, P241, P242, P243, P280, P301+P310, P303+P361+P353, P331, P370+P378, P403+P235, P405, P501
H226
|Danger|H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]|P210, P233, P240, P241, P242, P243, P280, P301+P310, P303+P361+P353, P331, P370+P378, P403+P235, P405, and P501|Aggregated GHS information provided by 319 companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
MODERATE, VIA HEAT, FLAMES, OXIDIZERS.
WATER SPRAY OR FOG, DRY CHEMICAL, CARBON DIOXIDE, FOAM.
Toxicity
NATURAL OCCURRING TERPENE OF ESSENTIAL OILS OF LEAVES, FLOWERS, AND FRUITS OF ANGELICA ARCHANGELICA.|BETA-PHELLANDRENE WAS A COMPONENT OF THE ESSENTIAL OIL OF CANARIUM SCHWEINFURTHII FROM ANGOLA|BETA-PHELLANDRENE WAS ONE OF NINE MONOTERPENES ANALYZED IN PINUS SILVESTRIS IN FINLAND.|BETA-PHELLANDRENE WAS A COMPONENT OF THE ESSENTIAL OILS OF RHIZOMES OF HEDYCHIUM SPICATUM AND HEDYCHIUM CORONARIUM.|For more Natural Pollution Sources (Complete) data for BETA-PHELLANDRENE (18 total), please visit the HSDB record page.
Drug Information
HYPERSENSITIVITY DUE TO SENSITIZING PROPERTIES OF 3 INGREDIENTS: ALPHA-PINENE, LIMONENE, & PHELLANDRENE IN DENTAL PREPN. /FORM NOT STATED/
3-methylene-6-(1-methylethyl)cyclohexene
β-Phellandrene Use and Manufacturing
ISOLN OF D-FORM FROM OIL OF WATER FENNEL (PHELLANDRIUM AQUATICUM L, UMBELLIFERAE): BERRY ET AL, J CHEM SOC 1937, 1448. ISOLATION OF L-FORM FROM CANADA BALSAM OIL: MACBETH ET AL, IBID, 1938, 119. STRUCTURE: WALLACH, ANN 343, 28 (1905). SYNTHESIS OF DL-FORM: DEORHA, SAREEN REC TRAV CHIM 82, 137 (1965).
Cyclohexene, 3-methylene-6-(1-methylethyl)-: ACTIVE
ANALYSIS OF THE MONOTERPENE HYDROCARBON MIXTURE OF THE ESSENTIAL OIL OF THE FRUITS OF CARUM CARVI BY COLUMN AND GAS CHROMATOGRAPHY YIELDED BETA-PHELLANDRENE AMONG OTHER TERPENES.|THE LOW BOILING POINT HYDROCARBON FRACTION OF THE OIL OF JUNIPERUS NANA WAS OBTAINED BY FRACTIONATION OF THE OIL OBTAINED BY STEAM DISTILLATION FROM THE LEAVES AND FRUIT, THEN SEPARATING FROM THE OXYGENATED COMPOUNDS ON A SILICA GEL COLUMN, ELUTING WITH PENTENE. COMPOUNDS WERE IDENTIFIED BY GAS CHROMATOGRAPHY.|THE ESSENTIAL OIL OF THE RHIZOMES OF HEDYCHIUM SPICATUM CONTAINS BETA-PHELLANDRENE AS DETERMINED BY GAS CHROMATOGRAPHY.|GAS AND THIN-LAYER CHROMATOGRAPHY WERE USED TO IDENTIFY THE COMPONENTS OF JUNIPERUS PHOENICEA OIL.
Computed Properties
Molecular Weight:136.23
XLogP3:3.4
Rotatable Bond Count:1
Exact Mass:136.125200510
Monoisotopic Mass:136.125200510
Heavy Atom Count:10
Complexity:151
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
Recommended Suppliers of β-Phellandrene
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