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CAS 94-96-2 2-Ethyl-1,3-hexanediol (mixture of diastereoisomers) molecular structure lightbox
CAS RN: 94-96-2

2-Ethyl-1,3-hexanediol (mixture of diastereoisomers)

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251108 25ml / 100ml / 500ml / 2.5L / 10L / 12X500ml Confirm by inquiry Shanghai, Shandong, Guangdong, Hebei, Chongqing Inquiry
  • Product code: SSC-208566
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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 94-96-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
500g ≥97% 0 Out of Stock Shenzhen Inquiry

94-96-2 / 2-ethylhexane-1,3-diol

Standard CAS: 94-96-2 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
94-96-2
Multi CAS
Yes
Molecular Formula
C8H18O2
Molecular Weight
146.230000
Exact Mass
146.130680
InChI
InChI=1S/C8H18O2/c1-3-5-8(10)7(4-2)6-9/h7-10H,3-6H2,1-2H3
InChIKey
RWLALWYNXFYRGW-UHFFFAOYSA-N

Physical Properties

Melting Point
-40 °C
Boiling Point
244.2 °C @ 760 MM HG
Density
0.9325 @ 22 °C/4 °C FAINT ODOR OF WITCH HAZEL; DISTILLATION RANGE 241-249 °C; DENSITY: 0.939-0.943 @ 20 °C/20 °C /CRUDE/
Physical Description
Liquid Colorless, odorless, hygroscopic liquid; [Hawley]
Appearance
SLIGHTLY OILY LIQ COLORLESS LIQUID
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
1
Rotatable bonds
5
H-bond acceptors
2
H-bond donors
2
Molar refractivity
41.78
TPSA
40.46

LogP / Solubility

WLOGP
1.17
MLOGP
1.02
XLogP3
1.3
Consensus LogP
1.16
Log S (ESOL)
-1.15
Class (ESOL)
Soluble
Log S (Ali)
-1.6
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.18
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)
-2.78

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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