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CAS 110-03-2 2,5-Dimethyl-2,5-hexanediol molecular structure lightbox
CAS RN: 110-03-2

2,5-Dimethyl-2,5-hexanediol

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250912 25g / 100g / 500g / 2.5kg Confirm by inquiry Shanghai, Shandong, Guangdong, Chongqing Inquiry
  • Product code: SSC-011234
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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: 500g
  • Available purity: ≥97%
  • 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 110-03-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
500g ≥97% 0 Out of Stock Hong Kong Inquiry

110-03-2 / 2,5-dimethylhexane-2,5-diol

2,5-DIMETHYL-2,5-HEXANEDIOL | 2,5-Dimethylhexane-2,5-diol | 2,5-Hexanediol, 2,5-dimethyl-

Standard CAS: 110-03-2 Multi CAS: Yes
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
110-03-2
Multi CAS
Yes
Molecular Formula
C8H18O2
Molecular Weight
146.230000
Exact Mass
146.130680
SMILES
CC(C)(CCC(C)(C)O)O
InChI
InChI=1S/C8H18O2/c1-7(2,9)5-6-8(3,4)10/h9-10H,5-6H2,1-4H3
InChIKey
ZWNMRZQYWRLGMM-UHFFFAOYSA-N
Synonyms
2,5-DIMETHYL-2,5-HEXANEDIOL 2,5-Dimethylhexane-2,5-diol 2,5-Hexanediol, 2,5-dimethyl- Dimethylhexanediol 2,5-DIHYDROXY-2,5-DIMETHYLHEXANE

Physical Properties

Melting Point
92 °C
Boiling Point
118 °C @ 15 MM HG
Density
0.898 G/ML @ 20 °C
Physical Description
White solid; [HSDB] Crystalline flakes
Appearance
PRISMS FROM ETHYL ACETATE, FLAKES FROM PETROLEUM ETHER WHITE CRYSTALS
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
1
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
2
Molar refractivity
41.83
TPSA
40.46

LogP / Solubility

WLOGP
1.31
MLOGP
1.14
XLogP3
0.8
Consensus LogP
1.08
Log S (ESOL)
-1.37
Class (ESOL)
Soluble
Log S (Ali)
-1.7
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.06
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)
-2.68

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Corrosive Irritant
Signal
Danger
GHS Hazard Statements
H315 (16.5%): Causes skin irritation [Warning Skin corrosion/irritation] H318 (78.9%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
Precautionary Statement Codes
P264, P264+P265, P280, P302+P352, P305+P354+P338, P317, P321, P332+P317, and P362+P364

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