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CAS 60047-17-8 Linalool Oxide (mixture of isomers) molecular structure lightbox
CAS RN: 60047-17-8

Linalool Oxide (mixture of isomers)

  • Product code: SSC-168632
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 25ml
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 60047-17-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
25ml ≥95% 0 Out of Stock Shanghai Inquiry

60047-17-8 / 2-(5-ethenyl-5-methyloxolan-2-yl)propan-2-ol

Standard CAS: 60047-17-8 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
60047-17-8
Multi CAS
Yes
Molecular Formula
C10H18O2
Molecular Weight
170.250000
Exact Mass
170.130680
InChI
InChI=1S/C10H18O2/c1-5-10(4)7-6-8(12-10)9(2,3)11/h5,8,11H,1,6-7H2,2-4H3
InChIKey
BRHDDEIRQPDPMG-UHFFFAOYSA-N

Physical Properties

Melting Point
128.30 °C. @ 0.00 mm Hg
Boiling Point
193.00 to 194.00 °C. @ 760.00 mm Hg

Computed Properties

Structural Parameters

Heavy atom count
12
Fraction Csp3
0.8
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
49.01
TPSA
29.46

LogP / Solubility

WLOGP
1.88
MLOGP
1.65
XLogP3
1.4
Consensus LogP
1.64
Log S (ESOL)
-1.95
Class (ESOL)
Soluble
Log S (Ali)
-2.31
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.57
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)
-2.42

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
2.5

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