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CAS 616-16-0 (R)-2-Methylbutanol molecular structure lightbox
CAS RN: 616-16-0

(R)-2-Methylbutanol

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250630 100mg Out of stock 8-10 business days Inquiry
  • Product code: SSC-170532
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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: 1g
  • 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 616-16-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

616-16-0 / 2-methylbutan-1-ol

Standard CAS: 616-16-0 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
616-16-0
Multi CAS
Yes
Molecular Formula
C5H12O
Molecular Weight
88.150000
Exact Mass
88.088815
InChI
InChI=1S/C5H12O/c1-3-5(2)4-6/h5-6H,3-4H2,1-2H3
InChIKey
QPRQEDXDYOZYLA-UHFFFAOYSA-N

Physical Properties

Melting Point
FREEZING POINT: LESS THAN -70 °C
Boiling Point
128 °C @ 760 MM HG 128.00 to 130.00 °C. @ 760.00 mm Hg 128 °C
Density
0.816 @ 20 °C/4 °C Relative density (water = 1): 0.8 0.815-0.820
Physical Description
Liquid Colorless liquid; [Hawley] COLOURLESS LIQUID WITH CHARACTERISTIC ODOUR. Clear colourless liquid; cooked roasted aroma with fruity or alcoholic undertones
Appearance
COLORLESS LIQ
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
6
Fraction Csp3
1
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
26.54
TPSA
20.23

LogP / Solubility

WLOGP
1.02
MLOGP
0.89
XLogP3
1.2
Consensus LogP
1.04
Log S (ESOL)
-0.9
Class (ESOL)
Very soluble
Log S (Ali)
-1.02
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.32
Class (SILICOS-IT)
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)
-2.53

Drug-likeness / Medicinal Chemistry

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

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