CAS RN: 112-80-1

Oleic Acid

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27 package records26 with current stock10 grade groups
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Batchno.20250608 1ml / 5ml / 25ml / 100ml Confirm by inquiry Shanghai, Shandong, Guangdong, Chongqing, Hebei Inquiry
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  • Product code: SSC-012510
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Verified Factory Data

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  • Pack sizes on record: 25g, 100g, 500g
  • Available purity: >90%
  • Inventory rows with stock: 1
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

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Recorded sizes, purity and stock details for CAS 112-80-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g >90% 1 In Stock Shanghai Inquiry
100g >90% 0 Out of Stock Shanghai Inquiry
500g >90% 0 Out of Stock Beijing Inquiry

112-80-1 / (Z)-octadec-9-enoic acid

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

Standard CAS: 112-80-1 Multi CAS: Yes

Basic Information

CAS
112-80-1
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-KTKRTIGZSA-N
Synonyms
9-octadecenoic acid Octadec-9-enoic acid DTXSID7048118 CHEBI:36021 RefChem:1075027

Physical Properties

Melting Point
61.3 °F (NTP, 1992) 16.3 °C 13.4 °C
Boiling Point
547 °F at 100 mmHg (NTP, 1992) 286 °C at 100 mm Hg Boiling Point - Decomposes at 360 °C and 1 atm
Density
0.89 at 77 °F (USCG, 1999) - Less dense than water; will float 0.895 at 25 °C/25 °C Yellowish, oily liquid; density 0.87; bp 205-206 °C (some decomposition). Insoluble in water; miscible with alcohol, ether /Ethyl ester/ Relative density (water = 1): 0.89 0.892-0.898
Physical Description
Oleic acid is a colorless to pale yellow liquid with a mild odor. Floats on water. (USCG, 1999) NKRA; Other Solid; Liquid, Other Solid; Liquid Liquid with odor of lard; Darkens with air exposure; Purified grades: White liquid; Commercial grades: Yellow to red liquid; [Hawley] Colorless or light yellow liquid; mp = 4 deg C; Liquid COLOURLESS LIQUID. TURNS YELLOW-TO-BROWN ON EXPOSURE TO AIR.
Appearance
Colorless or nearly colorless liq (above 5-7 °C) YELLOWISH, OILY LIQUID WATER-WHITE LIQUID
State
Solid
Storage Conditions
STORAGE PRECAUTIONS: You should protect this chemical from exposure to light. Keep the container tightly closed under an inert atmosphere, and store under refrigerated temperatures. (NTP, 1992) Keep containers closed and store in cool and dark places.

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 (31.5%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (22%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364

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