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CAS 5989-54-8 (-)-Limonene molecular structure lightbox
CAS RN: 5989-54-8

(-)-Limonene

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7 package records5 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250113 100ml Out of stock Inquiry
Batchno.20250422 25ml In stock Inquiry
Batchno.20260426 500ml Out of stock Inquiry
Batchno.20250505 5ml In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260223 100ml In stock Shanghai Inquiry
Batchno.20251107 25ml In stock Guangdong, Hebei Inquiry
Batchno.20260405 5ml In stock Shanghai, Shandong, Guangdong Inquiry
  • Product code: ICTL0132
  • Purity/Analytical Methods: >95.0%(GC)
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5989-54-8 / 1-methyl-4-prop-1-en-2-ylcyclohexene

Standard CAS: 5989-54-8 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
5989-54-8
Multi CAS
Yes
Molecular Formula
C10H16
Molecular Weight
136.230000
Exact Mass
136.125201
InChI
InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,10H,1,5-7H2,2-3H3
InChIKey
XMGQYMWWDOXHJM-UHFFFAOYSA-N

Physical Properties

Melting Point
-40 °F (USCG, 1999) -95.5 °C -40 °F
Boiling Point
352 °F at 760 mmHg (USCG, 1999) Colorless liquid; lemon-like odor. Specific gravity: 0.857 at 15.5 °C/15.5 °C; BP: 175-176 °C; Refractive index: 1.473 at 20 °C. Miscible with alcohol; insoluble in water /Limonene, inactive/ 352 °F
Density
0.842 at 69.8 °F (USCG, 1999) - Less dense than water; will float 0.8402 at 20.85 °C/4 °C 0.842 at 69.8 °F
Physical Description
Dipentene appears as a colorless liquid with an odor of lemon. Flash point 113 °F. Density about 7.2 lb /gal and insoluble in water. Hence floats on water. Vapors heavier than air. Used as a solvent for rosin, waxes, rubber; as a dispersing agent for oils, resins, paints, lacquers, varnishes, and in floor waxes and furniture polishes. Liquid Colorless liquid with a citrus-like odor; [ChemIDplus] A colorless liquid with an odor of lemon.
Appearance
Colorless liquid Colorless mobile liquid Clear to light yellow liquid
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
0.6
Rotatable bonds
1
Molar refractivity
45.91
TPSA
0.0000

LogP / Solubility

WLOGP
3.31
MLOGP
2.9
XLogP3
3.4
Consensus LogP
3.2
Log S (ESOL)
-2.7
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.07
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.41
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.2

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2

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