[email protected]
CAS 25725-11-5 2-METHYL-2-PROPAN-D9-OL molecular structure lightbox
CAS RN: 25725-11-5

2-METHYL-2-PROPAN-D9-OL

  • Product code: SSC-122184
GET A QUOTE
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: 0.1g, 0.25g, 1g, 5g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

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 25725-11-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Beijing Inquiry
0.25g ≥95% 0 Out of Stock Shenzhen Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry
5g ≥95% 0 Out of Stock Shenzhen Inquiry

25725-11-5 / 2-methylpropan-2-ol

Standard CAS: 25725-11-5 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
25725-11-5
Multi CAS
No
Molecular Formula
C4H10O
Molecular Weight
74.120000
Exact Mass
74.073165
SMILES
CC(C)(C)O
InChI
InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3
InChIKey
DKGAVHZHDRPRBM-UHFFFAOYSA-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

Customers Also Viewed

Get In Touch

Contact Us