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CAS 6627-72-1 Borneol oil molecular structure lightbox
CAS RN: 6627-72-1

Borneol oil

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Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250728 20mg In stock Shanghai, Shandong Inquiry
  • Product code: LINB917037
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6627-72-1 / 1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol

Standard CAS: 6627-72-1 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
6627-72-1
Multi CAS
Yes
Molecular Formula
C10H18O
Molecular Weight
154.250000
Exact Mass
154.135765
InChI
InChI=1S/C10H18O/c1-9(2)7-4-5-10(9,3)8(11)6-7/h7-8,11H,4-6H2,1-3H3
InChIKey
DTGKSKDOIYIVQL-UHFFFAOYSA-N

Physical Properties

Melting Point
202 °C Hexanogal plates from petroleum ether; melting point: 204 °C; boiling point: 210 °C at 779 mm Hg /L-Borneol/
Boiling Point
212 °C
Density
Leaves from ligroin; MP 206 °C; BP 213 °C; density: 1.011 g/cu cm at 20 °C. Insoluble in water; very soluble in ethanol, ether, benzene /Borneol, (+/-)-/
Physical Description
Borneol appears as a white colored lump-solid with a sharp camphor-like odor. Burns readily. Slightly denser than water and insoluble in water. Used to make perfumes. Liquid White translucent solid; [Hawley] White to off-white crystals; piney camphoraceous aroma
Appearance
White to off-white crystals White translucent lumps
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
45.24
TPSA
20.23

LogP / Solubility

WLOGP
2.19
MLOGP
1.92
XLogP3
2.7
Consensus LogP
2.27
Log S (ESOL)
-2.18
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.41
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.48
Class (SILICOS-IT)
Moderately 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)
-2.1

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
5

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