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CAS 1069-23-4 1,5-Hexadiene-3,4-diol (stabilized with HQ) molecular structure lightbox
CAS RN: 1069-23-4

1,5-Hexadiene-3,4-diol (stabilized with HQ)

Product Availability

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250305 100ml In stock Inquiry
Batchno.20251102 1ml In stock Inquiry
Batchno.20260618 25ml In stock Inquiry
Batchno.20250711 5ml In stock Inquiry
  • Product code: SSC-008389
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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: 10g
  • 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 1069-23-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
10g ≥97% 0 Out of Stock Shanghai Inquiry

1069-23-4 / hexa-1,5-diene-3,4-diol

divinyl glycol | Hexa-1,5-diene-3,4-diol | Divinylglycol

Standard CAS: 1069-23-4 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1069-23-4
Multi CAS
No
Molecular Formula
C6H10O2
Molecular Weight
114.140000
Exact Mass
114.068080
SMILES
C=CC(C(C=C)O)O
InChI
InChI=1S/C6H10O2/c1-3-5(7)6(8)4-2/h3-8H,1-2H2
InChIKey
KUQWZSZYIQGTHT-UHFFFAOYSA-N
Synonyms
divinyl glycol Hexa-1,5-diene-3,4-diol Divinylglycol 1,5-HEXADIENE,3,4-DIHYDROXY- 3,4-Dihydroxy-1,5-hexadiene

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
0.33
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
2
Molar refractivity
32.41
TPSA
40.46

LogP / Solubility

WLOGP
0.08
MLOGP
0.06
XLogP3
0.2
Consensus LogP
0.11
Log S (ESOL)
-0.4
Class (ESOL)
Very soluble
Log S (Ali)
-0.55
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.83
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)
-3.36

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

Safety & Transport

Pictogram(s)
Acute Toxic
Signal
Danger
GHS Hazard Statements
H301 (95.1%): Toxic if swallowed [Danger Acute toxicity, oral] H311 (100%): Toxic in contact with skin [Danger Acute toxicity, dermal] H331 (95.1%): Toxic if inhaled [Danger Acute toxicity, inhalation]
Precautionary Statement Codes
P261, P262, P264, P270, P271, P280, P301+P316, P302+P352, P304+P340, P316, P321, P330, P361+P364, P403+P233, P405, and P501

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