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CAS 53001-22-2 TERT-BUTANOL-D10 molecular structure lightbox
CAS RN: 53001-22-2

TERT-BUTANOL-D10

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250429 250mg / 1g Out of stock 15 business days Inquiry
  • Product code: SSC-160178
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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 53001-22-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

53001-22-2 / 2-methylpropan-2-ol

Standard CAS: 53001-22-2 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
53001-22-2
Multi CAS
Yes
Molecular Formula
C4H10O
Molecular Weight
74.120000
Exact Mass
74.073165
InChI
InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3/i1D3,2D3,3D3,5D
InChIKey
DKGAVHZHDRPRBM-SGLLWXCUSA-N

Physical Properties

Melting Point
77.9 °F (NTP, 1992) 25.81 °C 25.4 °C 25 °C 78 °F
Boiling Point
180 °F at 760 mmHg (NTP, 1992) 82.3 °C 82.40 °C. @ 760.00 mm Hg 83 °C 180 °F
Density
0.78 at 78.8 °F (USCG, 1999) - Less dense than water; will float 0.7886 g/cu cm at 20 °C Relative density (water = 1): 0.8 0.78 at 78.8 °F 0.79 (Solid)
Physical Description
Tert-butyl alcohol is a colorless oily liquid with a sharp alcohol odor. Floats and mixes with water. Produces irritating vapor. Freezing point is 78 °F. (USCG, 1999) Pellets or Large Crystals, Liquid; Other Solid; Liquid Colorless solid or liquid (above 78 degrees F) with a camphor-like odor; Note: Often used in aqueous solutions; [NIOSH] Solid COLOURLESS LIQUID OR CRYSTALLINE POWDER WITH CHARACTERISTIC ODOUR.
Appearance
A colorless liquid, which forms rhombic crystals melting at 25 to 25.5 °C Colorless liquid or rhombic prisms or plates Crystals Colorless liquid or solid (above 77 °F) [Note: Often used in aqueous solutions].
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
5
Fraction Csp3
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
21.97
TPSA
20.23

LogP / Solubility

WLOGP
0.78
MLOGP
0.67
XLogP3
0.5
Consensus LogP
0.65
Log S (ESOL)
-0.79
Class (ESOL)
Very soluble
Log S (Ali)
-0.73
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.79
Class (SILICOS-IT)
Very 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)
-2.62

Drug-likeness / Medicinal Chemistry

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

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