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CAS 112-88-9 1-Octadecene [Standard Material for GC] molecular structure lightbox
CAS RN: 112-88-9

1-Octadecene [Standard Material for GC]

Product Availability

Choose a grade to view its available package options.

6 package records6 with current stock3 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250228 100ml In stock Shanghai, Guangdong, Chongqing Inquiry
Batchno.20260214 10L In stock Shanghai, Shandong Inquiry
Batchno.20250802 1L In stock Shanghai, Shandong, Guangdong, Chongqing, Hebei Inquiry
Batchno.20251022 5L In stock Shanghai, Shandong, Hebei Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260523 250ml / 1L / 5L Confirm by inquiry Shanghai, Shandong, Guangdong, Chongqing, Hebei Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250123 25ml / 100ml / 250ml / 500ml / 2.5L / 12X500ml Confirm by inquiry Shandong, Shanghai, Guangdong, Chongqing, Hebei Inquiry
  • Product code: SSC-012515
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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 112-88-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
100g ≥95% 0 Out of Stock Shanghai Inquiry

112-88-9 / octadec-1-ene

1-OCTADECENE | Octadec-1-ene | alpha-Octadecene

Standard CAS: 112-88-9 Multi CAS: No
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
112-88-9
Multi CAS
No
Molecular Formula
C18H36
Molecular Weight
252.500000
Exact Mass
252.281701
SMILES
CCCCCCCCCCCCCCCCC=C
InChI
InChI=1S/C18H36/c1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2/h3H,1,4-18H2,2H3
InChIKey
CCCMONHAUSKTEQ-UHFFFAOYSA-N
Synonyms
1-OCTADECENE Octadec-1-ene alpha-Octadecene H5ZUQ6V4AK DTXSID3026932

Physical Properties

Physical Description
Liquid Melting point = 17.5 deg C; [ChemIDplus] Colorless liquid; mp = 18.3 deg C; [OECD SIDS: Higher Olefins - 2004]
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
18
Fraction Csp3
0.89
Rotatable bonds
15
Molar refractivity
85.13
TPSA
0.0000

LogP / Solubility

WLOGP
7.04
MLOGP
6.2
XLogP3
10
Consensus LogP
7.75
Log S (ESOL)
-4.85
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.72
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.95
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
0.74

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Health Hazard
Signal
Danger
GHS Hazard Statements
H304 (97%): May be fatal if swallowed and enters airways [Danger Aspiration hazard] H304 (97.2%): May be fatal if swallowed and enters airways [Danger Aspiration hazard] H413 (51.9%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement Codes
P301+P316, P331, P405, and P501 P273, P301+P316, P331, P405, and P501

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