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CAS 1552-12-1 1,5-CYCLOOCTADIENE molecular structure lightbox
CAS RN: 1552-12-1

1,5-CYCLOOCTADIENE

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250916 100ml / 500ml / 2.5L Confirm by inquiry Shanghai, Shandong 8-10 business days Inquiry
  • Product code: SSC-064493
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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: 100g
  • 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 1552-12-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
100g ≥95% 0 Out of Stock Shanghai Inquiry

1552-12-1 / (1Z,5Z)-cycloocta-1,5-diene

Standard CAS: 1552-12-1 Multi CAS: No
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
1552-12-1
Multi CAS
No
Molecular Formula
C8H12
Molecular Weight
108.180000
Exact Mass
108.093900
SMILES
C1/C=C\CC/C=C\C1
InChI
InChI=1S/C8H12/c1-2-4-6-8-7-5-3-1/h1-2,7-8H,3-6H2/b2-1-,8-7-
InChIKey
VYXHVRARDIDEHS-QGTKBVGQSA-N

Physical Properties

Melting Point
-70 TO -69 °C
Boiling Point
150.8 °C @ 757 MM HG
Density
0.8818 @ 25 °C/4 °C
Physical Description
Liquid Colorless Liquid
Appearance
LIQUID
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
0.5
Molar refractivity
36.75
TPSA
0.0000

LogP / Solubility

WLOGP
2.67
MLOGP
2.34
XLogP3
3.2
Consensus LogP
2.74
Log S (ESOL)
-2.19
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.38
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.58
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)
-1.48

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
1.5

Safety & Transport

Pictogram(s)
Flammable Irritant Health Hazard Environmental Hazard Corrosive
Signal
Danger
GHS Hazard Statements
H226 (99.5%): Flammable liquid and vapor [Warning Flammable liquids] H302+H332 (90.8%): Harmful if swallowed or if inhaled [Warning Acute toxicity, oral; acute toxicity, inhalation] H302 (92.3%): Harmful if swallowed [Warning Acute toxicity, oral] H304 (73.4%): May be fatal if swallowed and enters airways [Danger Aspiration hazard] H315 (25.1%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement Codes
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P316, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P317, P321, P330, P331, P332+P317, P333+P317, P337+P317, P362+P364, P370+P378, P391, P403+P235, P405, and P501 P210, P233, P240, P241, P242, P243, P261, P264, P270, P271, P273, P280, P301+P316, P301+P317, P303+P361+P353, P304+P340, P317, P330, P331, P370+P378, P391, P403+P235, P405, and P501 P210, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P271, P272, P273, P280, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P333+P317, P337+P317, P362+P364, P363, P370+P378, P391, P403+P233, P403+P235, P405, and P501

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