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112-79-8 molecular structure
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octadec-9-enoic acid

ChemBase ID: 3837
Molecular Formular: C18H34O2
Molecular Mass: 282.46136
Monoisotopic Mass: 282.25588033
SMILES and InChIs

SMILES:
CCCCCCCC/C=C/CCCCCCCC(=O)O
Canonical 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

Cite this record

CBID:3837 http://www.chembase.cn/molecule-3837.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
octadec-9-enoic acid
(9E)-octadec-9-enoic acid
IUPAC Traditional name
9 octadecenoic acid
elaidic acid
Synonyms
Oleic acid
cis-9-Octadecenoic Acid
Century CD Fatty Acid
Emersol 210
Red Oil
Pamolyn
Elainic acid
trans-Oleic acid
trans-9-Octadecenoic acid
ELAIDIC ACID
Acidum oleicum
Elaidic acid
9-Octadecenoic acid
OLEIC ACID, VEGETABLE ORIGIN, NF AND EP GRADE
ELAIDIC ACID, REAGENT GRADE
OKIC ACID
Oleic Acid
octadec-9-enoic acid
十八烯酸
顺式-9-十八烯酸
油酸
油酸
反式-9-十八烯酸
反式油酸
反油酸
CAS Number
112-79-8
112-80-1
EC Number
204-007-1
204-006-6
MDL Number
MFCD00063954
MFCD00064242
Beilstein Number
1726542
1726543
Merck Index
143533
PubChem SID
24901337
24856748
160967274
24862437
46506835
24868553
24886786
24894568
PubChem CID
637517
FEMA ID
2815
Council of Europe Number
13
Flavis Number
8.013

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem ALOGPS 2.1
Acid pKa 4.9881673  H Acceptors
H Donor LogD (pH = 5.5) 6.155865 
LogD (pH = 7.4) 4.4022083  Log P 6.783798 
Molar Refractivity 87.4022 cm3 Polarizability 34.16541 Å3
Polar Surface Area 37.3 Å2 Rotatable Bonds 15 
Lipinski's Rule of Five false 
Log P 7.68  LOG S -6.37 
Solubility (Water) 1.21e-04 g/l 

PROPERTIES

PROPERTIES

Physical Property Safety Information Pharmacology Properties Product Information Bioassay(PubChem)
Melting Point
13-14 °C(lit.) expand Show data source
14 °C (57.2 °F) expand Show data source
232 - 235°C expand Show data source
41-45°C expand Show data source
42-44 °C(lit.) expand Show data source
42-45 °C expand Show data source
48-49°C expand Show data source
Boiling Point
194-195 °C/1.2 mmHg(lit.) expand Show data source
235°C expand Show data source
288 °C/100 mmHg(lit.) expand Show data source
288°C/100mm expand Show data source
360 °C (680 °F); oleic acid begins to decompose at 80-100 °C. expand Show data source
Flash Point
>110°C(230°F) expand Show data source
>113 °C expand Show data source
>235.4 °F expand Show data source
113 °C expand Show data source
188.8°C expand Show data source
235.4 °F expand Show data source
Auto Ignition Point
362.7°C expand Show data source
Density
0.887 g/mL at 25 °C expand Show data source
0.89 g/mL at 25 °C(lit.) expand Show data source
0.891 g/mL at 25 °C expand Show data source
0.895 (water = 1) expand Show data source
Refractive Index
n20/D 1.459 expand Show data source
n20/D 1.459(lit.) expand Show data source
Vapor Pressure
1 mmHg ( 176 °C) expand Show data source
5.46 x 10-7 mm Hg at 25 °C expand Show data source
Hydrophobicity(logP)
7.786 expand Show data source
Organoleptic
fatty expand Show data source
Storage Condition
0°C expand Show data source
0°C, Store Under Nitrogen, Protect from light expand Show data source
2-8°C, Desiccate, Store Under Nitrogen, Protect from light expand Show data source
Storage Warning
Air Sensitive expand Show data source
RTECS
JX6125000 expand Show data source
RG2275000 expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
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German water hazard class
1 expand Show data source
Risk Statements
36/37/38 expand Show data source
38 expand Show data source
Safety Statements
26-37 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H315 expand Show data source
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305+P351+P338-P302+P352-P321-P405-P501A expand Show data source
Personal Protective Equipment
Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter expand Show data source
Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter expand Show data source
Storage Temperature
-20°C expand Show data source
2-8°C expand Show data source
Regulation Compliance
FCC expand Show data source
FDA 21 CFR (172.210) expand Show data source
FDA 21 CFR (172.860) expand Show data source
FDA 21 CFR (182.70) expand Show data source
FDA 21 CFR (182.90) expand Show data source
Gene Information
human ... SOAT1(6646), SOAT2(8435) expand Show data source
Allergens
no known allergens expand Show data source
Purity
≥99% expand Show data source
~98% expand Show data source
≥60% (GC) expand Show data source
≥70.0% expand Show data source
≥97.0% (GC) expand Show data source
≥98.0% (GC) expand Show data source
≥99% expand Show data source
≥99.0% expand Show data source
≥99.0% (GC) expand Show data source
65.0-88.0% (GC) expand Show data source
90% expand Show data source
95% expand Show data source
98% expand Show data source
Grade
analytical standard expand Show data source
EP expand Show data source
Halal expand Show data source
Kosher expand Show data source
natural expand Show data source
NF expand Show data source
Ph Eur expand Show data source
PRACTICAL expand Show data source
purum expand Show data source
REAGENT expand Show data source
SAJ first grade expand Show data source
Selectophore™ expand Show data source
technical grade expand Show data source
TraceCERT® expand Show data source
Compostion
fatty acids w. 1 chain > C18, ≤4.0% GC expand Show data source
linoleic acid, ≤18.0% GC expand Show data source
linolenic acid, ≤4.0% GC expand Show data source
margaric acid, ≤4.0% GC expand Show data source
myristic acid, ≤5.0% GC expand Show data source
oleic acid, 65.0-88.0% GC expand Show data source
palmitic acid, ≤16.0% GC expand Show data source
palmitoleic acid, ≤8.0% GC expand Show data source
stearic acid, ≤6.0% GC expand Show data source
Certificate of Analysis
Download expand Show data source
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Suitability
complies for appearance of solution expand Show data source
in accordance for fatty acid composition expand Show data source
passes test for identity expand Show data source
Ignition Residue
≤0.1% expand Show data source
Impurities
residual solvents, complies expand Show data source
Biological Source
from suet expand Show data source
Shelf Life
(limited shelf life, expiry date on the label) expand Show data source
Quality
meets analytical specification of Ph, Eur. expand Show data source
natural expand Show data source
Pharmacopeia
testing & handling conforms to Pharmacopeia expand Show data source
Acid Value
195-204 expand Show data source
Iodine Value
89-105 expand Show data source
Peroxide value
≤10 expand Show data source
Linear Formula
CH3(CH2)7CH=CH(CH2)7COOH expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Sigma Aldrich Sigma Aldrich DrugBank DrugBank
MP Biomedicals - 02151781 external link
Purity: 99+%
1 ml = approx. 0.89 g
MP Biomedicals - 02102500 external link
Practical Grade
Minimum 71% oleic acid.
Total unsaturated fatty acids: 90% minimum.
MP Biomedicals - 02101635 external link
Crystalline
Purity: ~98%
MP Biomedicals - 05214688 external link
MP Biomedicals Rare Chemical collection
MP Biomedicals - 05217326 external link
MP Biomedicals Rare Chemical collection
MP Biomedicals - 02194717 external link
Cell Culture Reagent
Purity: 99+%
1 ml = approx. 0.89 g
Sigma Aldrich - 27728 external link
Biochem/physiol Actions
Activates protein kinase C in hepatocytes.
Uncouples oxidative phosphorylation. Inhibits 2,4-dinitrophenol-stimulated ATPase. Action reversed by adding serum albumin.
Sigma Aldrich - 268046 external link
Biochem/physiol Actions
Activates protein kinase C in hepatocytes.
Uncouples oxidative phosphorylation. Inhibits 2,4-dinitrophenol-stimulated ATPase. Action reversed by adding serum albumin.
Sigma Aldrich - 75093 external link
Biochem/physiol Actions
Activates protein kinase C in hepatocytes.
Uncouples oxidative phosphorylation. Inhibits 2,4-dinitrophenol-stimulated ATPase. Action reversed by adding serum albumin.
Sigma Aldrich - E4637 external link
包装
1, 5, 25 g in poly bottle
Sigma Aldrich - 364525 external link
Biochem/physiol Actions
Activates protein kinase C in hepatocytes.
Uncouples oxidative phosphorylation. Inhibits 2,4-dinitrophenol-stimulated ATPase. Action reversed by adding serum albumin.
Packaging
1, 4 L in glass bottle
25 mL in glass bottle
Sigma Aldrich - W281506 external link
Biochem/physiol Actions
Activates protein kinase C in hepatocytes.
Uncouples oxidative phosphorylation. Inhibits 2,4-dinitrophenol-stimulated ATPase. Action reversed by adding serum albumin.
Packaging
1 kg in poly bottle
1 sample in glass bottle
4, 10, 20 kg in poly drum
Sigma Aldrich - 05508 external link
Biochem/physiol Actions
Activates protein kinase C in hepatocytes.
Uncouples oxidative phosphorylation. Inhibits 2,4-dinitrophenol-stimulated ATPase. Action reversed by adding serum albumin.
General description
Visit our Sensor Applications portal to learn more.
Other Notes
Oleic acid is often used as additive in ionophore PVC-membranes. The sensitivity is thus improved in many cases1
Legal Information
Selectophore is a trademark of Sigma-Aldrich GmbH
Sigma Aldrich - 94386 external link
Biochem/physiol Actions
Activates protein kinase C in hepatocytes.
Uncouples oxidative phosphorylation. Inhibits 2,4-dinitrophenol-stimulated ATPase. Action reversed by adding serum albumin.
General description
Certified content by quantitative NMR incl. uncertainty and expiry are given in the certificate.Download your certificate at: http://www.sigma-aldrich.com.
Legal Information
TraceCERT is a registered trademark of Sigma-Aldrich Co. LLC
Sigma Aldrich - 75096 external link
Biochem/physiol Actions
Activates protein kinase C in hepatocytes.
Uncouples oxidative phosphorylation. Inhibits 2,4-dinitrophenol-stimulated ATPase. Action reversed by adding serum albumin.
Sigma Aldrich - 75090 external link
Biochem/physiol Actions
Activates protein kinase C in hepatocytes.
Uncouples oxidative phosphorylation. Inhibits 2,4-dinitrophenol-stimulated ATPase. Action reversed by adding serum albumin.
Sigma Aldrich - 75092 external link
Biochem/physiol Actions
Activates protein kinase C in hepatocytes.
Uncouples oxidative phosphorylation. Inhibits 2,4-dinitrophenol-stimulated ATPase. Action reversed by adding serum albumin.
Sigma Aldrich - 23-0590 external link
Biochem/physiol Actions
Activates protein kinase C in hepatocytes.
Uncouples oxidative phosphorylation. Inhibits 2,4-dinitrophenol-stimulated ATPase. Action reversed by adding serum albumin.
DrugBank - DB04224 external link
Item Information
Drug Groups experimental
Description An unsaturated fatty acid that is the most widely distributed and abundant fatty acid in nature. It is used commercially in the preparation of oleates and lotions, and as a pharmaceutical solvent. (Stedman, 26th ed)

REFERENCES

REFERENCES

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PATENTS

PATENTS

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