Basic information
- Standard SMILES
CCCCCCCCC=CCCCCCCCC(=O)OC- InChIKey
QYDYPVFESGNLHU-UHFFFAOYSA-N- Molecular formula
- C19H36O2
- Average molar mass
- 296.5 g/mol
- Monoisotopic mass
- 296.27153039
Names & identifiers
- Preferred name
- 9-Octadecenoic acid, methyl ester
- IUPAC
- methyl octadec-9-enoate
- English name
- Methyl Oleate
- Molecular formula
- C19H36O2
- Molecular weight
- 296.49
Names & synonyms
methyl octadec-9-enoateMethyl 9-octadecenoateEINECS 219-559-918:1n-9 methyl esterDTXSID9062435METHYL elaidic acidRefChem:108146Methyl octadec-9-enoic acidDTXCID4037110Methyl (9E)-octadec-9-enoic acid219-559-99-Octadecenoic acid, methyl ester
Show more names
METHYL OCTADECENOATEOLEIC ACID METHYL ESTERMETHYL CIS-9-OCTADECENOATE9-Octadecenoicacid(Z)-,methylestercis-octadec-9-enoicacidMethyl (9Z)-9-octadecenoatemethyl (9Z)-octadec-9-enoatecis-octadec-9-enoicacidmethylesterCIS-9-OCTADECENOIC ACID METHYL ESTERnsc406282
QYDYPVFESGNLHU-ZHACJKMWSA-N2462-84-2cis-oleic acid methyl estermethyl-9-octadecenoateOleic Acid-1-13C, Methyl Ester9-Octadecenoic Acid Methyl Ester; 9-Octadecenoic acid, methyl ester (7CI, 9CI, ACI); Methyl 9-octadecenoate; 9-Octadecenoic acid methyl esterEmerest 2219SCHEMBL37372
Database identifiers
- CAS
112-62-9、2462-84-2- PubChem CID
- 8202
- DTXSID
DTXSID9062435- ChEBI
CHEBI:229170- EC Number
- 219-559-9
Properties
Computed structural properties
- XLogP
- 7.6
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 16
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 246
Physicochemical properties
- Melting point
- -20 °C · -20 °C
- Boiling point
- 218 °C/20 · 218 °C/20 mmHg (lit.)
- Density
- 0.874 g/mL · 0.874 g/mL at 20 °C (lit.)
- Pour Point
- -23 · -23
- vapor pressure
- 10 mm · 10 mm Hg ( 205 °C)
- refractive index
- 20 · n20/D 1.452(lit.)
- FLAVIS Number
- 9.652 · 09.652 | Methyl oleate
- Flash point
- 230 °F · >230 °F
- storage temp.
- -20 °C · -20°C
- solubility
- Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
- form
- Oily Liquid
- color
- Clear yellow to amber
- Specific Gravity
- 0.875 · 0.875 (20/4℃)
- Odor
- 100 % · at 100.00%. mild fatty
- Water Solubility
- Miscible with alcohol, ether and chloroform. Immiscible with water.
- Merck
- 14 · 14,6828
- BRN
- 1727037 · 1727037
- Henry's Law Constant
- 1.3 · 1.3×10-2 mol/(m3Pa) at 25℃, Krop and Velzen (1997)
- Dielectric constant
- 3.2 · 3.2(20℃)
- Stability
- Stable, but air and light sensitive. Incompatible with strong oxidizing agents. Combustible.
- Cosmetics Ingredients Functions
- SKIN CONDITIONING - EMOLLIENTSKIN CONDITIONINGPERFUMING
- 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/b11-10-
- InChIKey
- QYDYPVFESGNLHU-KHPPLWFESA-N
- SMILES
- CCCCCCCC\C=C/CCCCCCCC(=O)OC
- LogP
- 7.45 · 7.450
- CAS DataBase Reference
- 112 · 112-62-9(CAS DataBase Reference)
- Indirect Additives used in Food Contact Substances
- METHYL OLEATE
- FDA 21 CFR
- 175.105 · 175.105; 176.200; 177.1200
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 39736 AJ06R · 39736AJ06R
- NIST Chemistry Reference
- 9 · 9-Octadecenoic acid (Z)-, methyl ester(112-62-9)
- EPA Substance Registry System
- Methyl oleate (112-62-9)
- UNSPSC Code
- 85151701 · 85151701
- NACRES
- 24 · NA.24
- Symbol(GHS)
- 2 · GHS02,GHS07,GHS08,GHS09
- Signal word
- Danger
- Hazard statements
- 225 · H225-H304-H315-H336-H410
- Precautionary statements
- 210 · P210-P233-P273-P301+P310-P303+P361+P353-P331
- PPE
- Eyeshields, Gloves, multi-purpose combination respirator cartridge (US)
- Hazard Codes
- F,Xn,N
- Risk Statements
- 11 · 11-38-50/53-65-67
- Safety Statements
- 23 · 23-24/25-62-61-60-33-29-16-9
- RIDADR
- 1206 · UN 1206 3/PG 2
- WGK Germany
- 1 · 1
- RTECS
- 895000 · RK0895000
- F
- 8 · 8-23
- TSCA
- TSCA listed
- HS Code
- 29161500 · 29161500
- Storage Class
- 10 · 10 - Combustible liquids
- Hazardous Substances Data
- 112 · 112-62-9(Hazardous Substances Data)
- Toxicity
- 50 orally · LD50 orally in Rabbit: > 2000 mg/kg LD50 dermal Rabbit > 5000 mg/kg
Safety & regulation
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 100% (4 of 4) of all reports.
Not Classified；Reported as not meeting GHS hazard criteria by 4 of 4 companies. For more detailed information, please visit ECHA C&L website.
Aggregated GHS information provided per 4 reports by companies from 1 notifications to the ECHA C&L Inventory.；Reported as not meeting GHS hazard criteria per 4 of 4 reports by companies.；There are 0 notifications provided by 0 of 4 reports by companies with hazard statement code(s).；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard information
Regulatory Information
Chemical: 9-Octadecenoic acid, methyl ester
9-Octadecenoic acid, methyl ester: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationEvaluation - Chemicals that are unlikely to require further regulation to manage risks to human health；Evaluation - Chemicals that are unlikely to require further regulation to manage risks to environment
Hazard Classes and CategoriesNot Classified
Regulatory information
Regulatory Information
Chemical: 9-Octadecenoic acid, methyl ester
9-Octadecenoic acid, methyl ester: Does not have an individual approval but may be used under an appropriate group standard
Safety data
- F
- 8-23
- PPE
- Eyeshields, Gloves, multi-purpose combination respirator cartridge (US)
- wgk
- 1
- tsca
- TSCA listed
- rtecs
- RK0895000
- ridadr
- UN 1206 3/PG 2
- hs_code
- 29161500
- Toxicity
- LD50 orally in Rabbit: > 2000 mg/kg LD50 dermal Rabbit > 5000 mg/kg
- risk_code
- 11-38-50/53-65-67
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS07,GHS08,GHS09
- hazard_code
- F,Xn,N
- safety_code
- 23-24/25-62-61-60-33-29-16-9
- Storage Class
- 10 - Combustible liquids
- Hazard statements
- H225-H304-H315-H336-H410
- Precautionary statements
- P210-P233-P273-P301+P310-P303+P361+P353-P331
- Hazardous Substances Data
- 112-62-9(Hazardous Substances Data)
Chemistry & industry
Uses & manufacturing
Use ClassificationFragrance Ingredients
General Manufacturing Information9-Octadecenoic acid, methyl ester: ACTIVE
Applications
UsesIntermediate for detergents, emulsifiers, wet-ting agents, stabilizers, textile treatment, plasti-cizers for duplicating inks, rubbers, waxes, etc.;biochemical research, chromatographic referencestandard.
UsesMethyl oleate is used as a chromatographic reference standard in biochemical research. It is also used as an intermediate for detergents, emulsifiers, wetting agents, stabilizers, textile treatments, plasticizers, for duplicating ink, rubber and wax. It finds application as lubricant and lubricant additive.
UsesMethyl oleate was used to study the catalytic potential of molybdenum oxide/bipyridinedicarboxylate hybrid material.
General DescriptionClear to amber liquid. Insoluble in water.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers50 total
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Additional notes
DefinitionChEBI: A fatty acid methyl ester resulting from the formal condensation of the carboxy group of oleic acid with methanol.
Related reactions
9 records
Linked notes
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