CAS 4813-57-4 Stearyl acrylate (HCID 62552)

Overview

See also: Stearyl acrylate polymer (110000 MW) (monomer of).

Names & identifiers

Preferred name: Stearyl acrylate
IUPAC: octadecyl prop-2-enoate
English name: Octadecyl acrylate
Molecular formula: C21H40O2
Molecular weight: 324.54

Names & synonyms

Octadecyl acrylate4813-57-4Stearyl acrylaten-Octadecyl acrylate2-Propenoic acid, octadecyl esterOctadecyl 2-propenoateL37WJG7RTHBLEMMER SAEXCEPARL SUNII-L37WJG7RTHLIGHT ACRYLATE S-AEINECS 225-383-3

Show more names

Octadecyl2-propenoate60％C18，20％C16OctadecylacrylatAcrylic acid octadecyloctadecyl prop-2-enoateStearyl acrylate COA TDSACRYLIC ACID STEARYL ESTER

VISCOAT STAAI3-15687EC 225-383-3Acrylic acid, octadecyl ester1-OCTADECANOL, ACRYLATEDTXSID9063613RefChem:9276DTXCID2040608

Database identifiers

CAS: 4813-57-4
PubChem CID: 62552
DTXSID: DTXSID9063613
UNII: L37WJG7RTH
EC Number: 225-383-3
Nikkaji: J82.109H

Properties

Computed structural properties

XLogP: 9.4
Topological polar surface area: 26.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 19
Heavy atoms: 23
Formal charge: 0
Complexity: 261

Experimental & physicochemical properties

LogP7.1

Physical DescriptionLiquid; Other Solid; Liquid; Other Solid

Physicochemical properties

Melting point: 32 · 32-34 °C (lit.)
Boiling point: 402.85 °C · 402.85°C (rough estimate)
Density: 0.8 g/mL · 0.8 g/mL at 25 °C (lit.)
vapor pressure: 0.001 Pa · 0.001Pa at 25℃
refractive index: 1.5344 · 1.5344 (estimate)
Flash point: 230 °F · >230 °F
storage temp.: 2 · 2-8°C, stored under nitrogen
solubility: Insoluble in water
form: powder to lump to clear liquid
color: White or Colorless to Almost white or Almost colorless
Water Solubility: 260.9 ng/L · 260.9ng/L at 25℃
InChI: 1S/C21H40O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-21(22)4-2/h4H,2-3,5-20H2,1H3
InChIKey: FSAJWMJJORKPKS-UHFFFAOYSA-N
SMILES: CCCCCCCCCCCCCCCCCCOC(=O)C=C
LogP: 9.08 at · 9.08 at 25℃
CAS DataBase Reference: 4813 · 4813-57-4(CAS DataBase Reference)
FDA UNII: 37 WJG7RTH · L37WJG7RTH
NIST Chemistry Reference: Octadecyl acrylate(4813-57-4)
EPA Substance Registry System: Stearyl acrylate (4813-57-4)
UNSPSC Code: 12162002 · 12162002
NACRES: 23 · NA.23
Symbol(GHS): 7 · GHS07,GHS09
Signal word: Warning
Hazard statements: 315 · H315-H319-H335-H411
Precautionary statements: 261 · P261-P264-P271-P273-P302+P352-P305+P351+P338
target organs: Respiratory system
PPE: 95 · dust mask type N95 (US), Eyeshields, Faceshields, Gloves
Hazard Codes: Xi,N
Risk Statements: 41 · 41-51/53-36/37/38-43-38
Safety Statements: 26 · 26-39-61-36/37/39
RIDADR: 3077 · UN 3077 9 / PGIII
WGK Germany: 2 · 2
TSCA: TSCA listed
HS Code: 29161290 · 29161290
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 2 Eye · Aquatic Chronic 2Eye Irrit. 2Skin Irrit. 2STOT SE 3
REACH Registrations: Active
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)

Safety & regulation

GHS classification

GHS Classification · 5 items

This chemical does not meet GHS hazard criteria for 0.9% (3 of 339) of reports.

Warning

H315 (99.1%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P272, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P333+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 339 reports by companies from 21 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory Information · 4 items

Chemical: 2-Propenoic acid, octadecyl ester

2-Propenoic acid, octadecyl ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2-Propenoic acid, octadecyl ester are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

Status: Active Update: 08-03-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/14496

2-Propenoic acid, octadecyl ester: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesSkin Irrit. 2 (99.1%)

Safety data

PPE: dust mask type N95 (US), Eyeshields, Faceshields, Gloves
wgk: 2
tsca: TSCA listed
ridadr: UN 3077 9 / PGIII
hs_code: 29161290
risk_code: 41-51/53-36/37/38-43-38
Signal word: Warning
Symbol(GHS): GHS07,GHS09
hazard_code: Xi,N
safety_code: 26-39-61-36/37/39
Storage Class: 11 - Combustible Solids
target organs: Respiratory system
Hazard statements: H315-H319-H335-H411
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
REACH Registrations: Active
Hazard Classifications: Aquatic Chronic 2Eye Irrit. 2Skin Irrit. 2STOT SE 3
Precautionary statements: P261-P264-P271-P273-P302+P352-P305+P351+P338

Chemistry & industry

Uses & manufacturing

U.S. Production2023: 400,000 - <550,000 lb

Consumer UsesMonomers

Industry UsesIntermediate

General Manufacturing Information · 2 items

Adhesive Manufacturing

2-Propenoic acid, octadecyl ester: ACTIVE

Applications · 3 items

DescriptionOctadecyl acrylate is a versatile monomer extensively utilized in synthesizing polymer materials. It presents as a colorless and viscoelastic liquid. Its wide-ranging applications encompass coatings, adhesives, sealants, and printing inks, making it an indispensable ingredient in the polymer industry. Notably, Octadecyl acrylate contributes to the production of polymers used in various medical applications and the manufacturing of polyurethane foams. It serves as a valuable model for studying polymerization reactions, offering insights into the properties of polymer materials. During the polymerization process, Octadecyl acrylate undergoes a crucial reaction. This reaction involves the formation of covalent bonds between the monomer molecules. Precisely, addition polymerization occurs, where a monomer molecule adds to a double bond between two other monomer molecules, establishing the covalent bonds that create the polymer material.

Usesstearyl acrylate is generally found in combination with other chemicals, it acts as a film former to help maintain moisture in the skin.

UsesOctadecyl Acrylate is a reagent used in the synthesis of comb-like polymers which are incorporated into waterborne latexes improving barrier properties.