methyl octadec-9-enoate

• ChemBase ID: 102612
• Molecular Formular: C19H36O2
• Molecular Mass: 296.48794
• Monoisotopic Mass: 296.27153039
• SMILES: CCCCCCCC/C=C/CCCCCCCC(=O)OC
• Canonical SMILES: CCCCCCCC/C=C/CCCCCCCC(=O)OC
• InChI: InChI=1S/C19H36O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h10-11H,3-9,12-18H2,1-2H3
• InChIKey: QYDYPVFESGNLHU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl octadec-9-enoate; methyl (9E)-octadec-9-enoate
• IUPAC Traditional name: methyl 9-octadecenoate; methyl elaidate
• Synonyms: Methyl oleate; Methyl cis-9-octadecenoate; OLEIC ACID METHYL ESTER TECHNICAL GRADE; Emerest 2301; (Z)-9-Octadecenoic Acid Methyl Ester; OLEIC ACID METHYL ESTER; METHYL ELAIDATE; Oleic acid methyl ester; Methyl oleate; Elaidic acid methyl ester; Methyl trans-9-octadecenoate; Methyl elaidate; ELAIDIC ACID METHYL ESTER; Methyl elaidate; trans-9-Octadecenoic methyl ester; trans-9-Octadecenoic acid methyl ester; methyl octadec-9-enoate; 油酸甲酯; 顺-9-十八碳烯酸甲酯; 油酸甲酯; 反-9-十八碳烯酸甲酯; 反油酸甲酯; 反式油酸甲酯; 反式油酸甲酯; 反式-9-十八烯酸甲酯; 反-9-十八碳烯酸甲酯

Database IDs

• CAS Number: 112-62-9; 2462-84-2; 1937-62-8
• EC Number: 203-992-5; 217-712-4; 219-559-9; 205-563-8
• MDL Number: MFCD00009578; MFCD00066521
• Beilstein Number: 1727038; 1727037
• PubChem SID: 24856258; 24894579; 162090222; 24868609; 24858840; 24886797
• PubChem CID: 5280590

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 6.9296927
• LogD (pH = 7.4): 6.9296927
• Log P: 6.9296927
• Molar Refractivity: 92.1713 cm^3
• Polarizability: 36.271923 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 16
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 9-10 °C; 9-10°C
• Boiling Point: 168-170°C; 218 °C/20 mmHg(lit.)
• Flash Point: 113 °C; 235.4 °F; 24.8 °F; -4 °C
• Density: 0.871; 0.871 g/mL at 20 °C(lit.); 0.874 g/mL at 20 °C(lit.); 0.879 g/ml
• Refractive Index: n20/D 1.450; n20/D 1.452; n20/D 1.452(lit.)
• Vapor Pressure: 10 mmHg ( 205 °C); 6.29 x 10-6 at 25 °C
• Hydrophobicity(logP): 8.162

Safety Information

• Storage Condition: 0°C; 0°C, Store Under Nitrogen, Protect from light
• RTECS: RK0895000
• European Hazard Symbols: Flammable (F); Nature polluting (N); Harmful (Xn)
• UN Number: 1206
• German water hazard class: 1; 2; 3
• Hazard Class: 3
• Packing Group: 2
• Risk Statements: 11-38-50/53-65-67
• Safety Statements: 9-16-29-33-60-61-62
• TSCA Listed: 是
• GHS Pictograms: GHS02; GHS07; GHS08; GHS09
• GHS Signal Word: Danger
• GHS Hazard statements: H225-H304-H315-H336-H410
• GHS Precautionary statements: P210-P261-P273-P301 + P310-P331-P501
• Personal Protective Equipment: Eyeshields, Gloves; Eyeshields, Gloves, half-mask respirator (US), multi-purpose combination respirator cartridge (US)
• RID/ADR: UN 1206 3/PG 2
• Storage Temperature: -20°C; 2-8°C

Product Information

• Purity: ≥99%; ≥98.0% (GC); ≥99% (capillary GC); ≥99.0% (GC); 70%; 95%; 99%
• Concentration: 10 mg/mL in heptane
• Grade: analytical standard; purum; TECHNICAL; technical grade
• Packaging: ampule of 1 mL
• Shelf Life: (limited shelf life, expiry date on the label)
• Quality: natural
• Linear Formula: CH3(CH2)7CH=CH(CH2)7CO2CH3; CH3(CH2)7CH=CH(CH2)7COOCH3

DETAILS

MP Biomedicals - 02102337

Technical Grade

MP Biomedicals - 02102504

Purity: 99+%

MP Biomedicals - 02157915

Purity: 99%

MP Biomedicals - 05203375

MP Biomedicals Rare Chemical collection

Sigma Aldrich - E4762

Packaging
Sealed ampule.

Sigma Aldrich - 268038

Packaging
1 L in glass bottle

Sigma Aldrich - 311111

Packaging
5, 25 g in glass bottle