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CAS 99-86-5 α-Terpinene molecular structure lightbox
CAS RN: 99-86-5

α-Terpinene

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5 package records5 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250101 100ml In stock Inquiry
Batchno.20250831 2.5L In stock Inquiry
Batchno.20250713 25ml In stock Inquiry
Batchno.20251028 500ml In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250615 5ml / 25ml / 100ml / 500ml / 2.5L Confirm by inquiry Shanghai, Shandong, Chongqing, Hebei, Guangdong Inquiry
  • Product code: ICTM0317
  • Purity/Analytical Methods: >90.0%(GC)
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99-86-5 / 1-methyl-4-propan-2-ylcyclohexa-1,3-diene

Standard CAS: 99-86-5 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
99-86-5
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/h4,6,8H,5,7H2,1-3H3
InChIKey
YHQGMYUVUMAZJR-UHFFFAOYSA-N

Physical Properties

Melting Point
< 25 °C
Boiling Point
173.00 to 175.00 °C. @ 760.00 mm Hg
Density
0.833-0.838
Physical Description
Liquid Liquid; Solid Colourless oily liquid; refreshing, lemony-citrus aroma
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
2.8
Consensus LogP
3
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
Leadlikeness
No
Synthetic Accessibility
1.5

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