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CAS 20125-84-2 cis-3-Octen-1-ol molecular structure lightbox
CAS RN: 20125-84-2

cis-3-Octen-1-ol

Product Availability

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4 package records3 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20251017 100g Out of stock Inquiry
Batchno.20251212 1g In stock Inquiry
Batchno.20250315 25g In stock Inquiry
Batchno.20251111 5g In stock Inquiry
  • Product code: SSC-094938
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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: 25ml
  • Available purity: 0
  • 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 20125-84-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
25ml 0 0 Out of Stock Beijing Inquiry

20125-84-2 / (Z)-oct-3-en-1-ol

Standard CAS: 20125-84-2 Multi CAS: No
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
20125-84-2
Multi CAS
No
Molecular Formula
C8H16O
Molecular Weight
128.210000
Exact Mass
128.120115
SMILES
CCCC/C=C\CCO
InChI
InChI=1S/C8H16O/c1-2-3-4-5-6-7-8-9/h5-6,9H,2-4,7-8H2,1H3/b6-5-
InChIKey
YDXQPTHHAPCTPP-WAYWQWQTSA-N

Physical Properties

Boiling Point
73.00 °C. @ 0.50 mm Hg
Density
0.830-0.850
Physical Description
white to slightly yellowish liquid with a musty, mushroom-like odour
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
0.75
Rotatable bonds
5
H-bond acceptors
1
H-bond donors
1
Molar refractivity
40.37
TPSA
20.23

LogP / Solubility

WLOGP
2.12
MLOGP
1.85
XLogP3
2.4
Consensus LogP
2.12
Log S (ESOL)
-1.64
Class (ESOL)
Soluble
Log S (Ali)
-2.14
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.85
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

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)
Irritant Environmental Hazard
Signal
Warning
GHS Hazard Statements
H302 (91.9%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (91.9%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (91.9%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H332 (91.9%): Harmful if inhaled [Warning Acute toxicity, inhalation] H400 (91.9%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P321, P330, P332+P317, P337+P317, P362+P364, P391, and P501

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