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CAS 112-79-8 Elaidic Acid molecular structure lightbox
CAS RN: 112-79-8

Elaidic Acid

Product Availability

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10 package records10 with current stock3 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260513 1g In stock Inquiry
Batchno.20260609 25g In stock Inquiry
Batchno.20250117 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251110 1g In stock Shanghai, Shenzhen, Tianjin, Chengdu Inquiry
Batchno.20250727 25g In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20251025 5g In stock Shanghai, Tianjin Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250626 100mg In stock Inquiry
Batchno.20250510 1g In stock Inquiry
Batchno.20250614 500mg In stock Inquiry
Batchno.20250802 5g In stock Inquiry
  • Product code: SSC-012509
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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: 25g
  • 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 112-79-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥97% 0 Out of Stock Beijing Inquiry

112-79-8 / (E)-octadec-9-enoic acid

9-octadecenoic acid | Octadec-9-enoic acid | DTXSID7048118

Standard CAS: 112-79-8 Multi CAS: Yes
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
112-79-8
Multi CAS
Yes
Molecular Formula
C18H34O2
Molecular Weight
282.500000
Exact Mass
282.255880
SMILES
CCCCCCCC/C=C/CCCCCCCC(=O)O
InChI
InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H,19,20)/b10-9+
InChIKey
ZQPPMHVWECSIRJ-MDZDMXLPSA-N
Synonyms
9-octadecenoic acid Octadec-9-enoic acid DTXSID7048118 CHEBI:36021 RefChem:1075027

Physical Properties

Melting Point
42 - 44 °C
Physical Description
White solid; [Merck Index] White crystals; Liquid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
20
Fraction Csp3
0.83
Rotatable bonds
15
H-bond acceptors
1
H-bond donors
1
Molar refractivity
87.09
TPSA
37.3

LogP / Solubility

WLOGP
6.11
MLOGP
5.39
XLogP3
6.5
Consensus LogP
6
Log S (ESOL)
-4.45
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.29
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.37
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)
-0.11

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)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (87.5%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (87.5%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (75%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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