Isooctyl acrylate (HCID 165746)

Namen und Bezeichner

Bevorzugter Name: Isooctyl acrylate
IUPAC: 6-methylheptyl prop-2-enoate
Lokaler Name: Isooctylacrylat
Englischer Name: ISOOCTYL ACRYLATE
Summenformel: C11H20O2
Molmasse: 184.28

Namen und Synonyme

ISOOCTYL ACRYLATE29590-42-92-Propenoic acid, isooctyl esterAcrylic acid, isooctyl esterGU1V16S82FDTXSID8027955RefChem:7640249-707-86-Methylheptyl acrylate6-methylheptyl prop-2-enoateIso-octyl acrylate54774-91-3

Weitere Namen anzeigen

IOAAi3-28217Ccris 4352Isobornyl esterIsooctylacrylatISOCTYLACRYLATEEinecs 249-707-8acrylicacid,isooctylester

isooctylacrylate2-Propenoic acid, 6-methylheptyl esterIsooctyl acrylate monomerMFCD000806022-propenoic acid 6-methylheptyl esterDSSTox_CID_7955DSSTox_RID_78622DSSTox_GSID_27955

Datenbank-Bezeichner

CAS: 29590-42-9、54774-91-3
PubChem CID: 165746
DTXSID: DTXSID00274047
ChEMBL: CHEMBL1877930
UNII: GU1V16S82F
EC Number: 249-707-8
Nikkaji: J99.451K

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 4,2
Polarare Oberfläche (TPSA): 26,3 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 8
Schwere Atome: 13
Formalladung: 0
Komplexität: 150

Experimentelle und physikochemische Eigenschaften

LogP3.93

Density · 2 Einträge

0.9 g/cm³

Relative density of the vapour/air-mixture at 20 °C (air = 1): 1.01

Viscosity2 mm²/s at 25 °C

SolubilitySolubility in water, g/100ml at 23 °C: 0.001 (very poor)

Flash Point · 2 Einträge

91 °C

91 °C c.c.

Boiling Point196.8 °C

Physikochemische Eigenschaften

Schmelzpunkt: -58.7 °C · -58.7°C (estimate)
Siedepunkt: 125 °C20 · 125 °C20 mm Hg(lit.)
Dichte: 0.88 g/mL · 0.88 g/mL at 25 °C(lit.)
Dampfdruck: 1.067 hPa · 1.067hPa at 20℃
Brechungsindex: 20 · n20/D 1.437(lit.)
Flammpunkt: 177 °F · 177 °F
Aggregatzustand: Liquid
InChI: InChI=1S/C11H20O2/c1-4-11(12)13-9-7-5-6-8-10(2)3/h4,10H,1,5-9H2,2-3H3
InChIKey: DXPPIEDUBFUSEZ-UHFFFAOYSA-N
SMILES: C(=O)(C=C)OCCCCCC(C)C
LogP: 4.5 · 4.5-4.7 at 25℃ and pH7
CAS Datenbank: 29590 · 29590-42-9(CAS DataBase Reference)
EPA chemische Informationen: Isooctyl acrylate (29590-42-9)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

Warning

H315: Causes skin irritation [Warning Skin corrosion/irritation]；H319: Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335: May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]；H400: Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]；H410: Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]

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

Warning

Gefahrenhinweise

Regulatory Information · 4 Einträge

Chemical: 2-Propenoic acid, isooctyl ester

2-Propenoic acid, isooctyl ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2-Propenoic acid, isooctyl 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: 20-07-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/2087

Isooctyl acrylate: Does not have an individual approval but may be used under an appropriate group standard

Fire HazardsCombustible. Above 91 °C explosive vapour/air mixtures may be formed.

Hazards Summary · 1 Eintrag

A skin, eye, and respiratory tract irritant; [eChemPortal: ESIS] Skin irritation reported in workers; No skin sensitization detected in animal studies; [AIHA] An irritant and lachrymator; May cause skin sensitization; [MSDSonline] See ACRYLIC RESINS (MONOMERS).

EC ClassificationSymbol: Xi, N; R: 36/37/38-50/53; S: (2)-26-28-60-61

UN ClassificationUN Hazard Class: 9; UN Pack Group: III

Chemical DangersThe substance may polymerize due to heating. Decomposes on heating. This produces acrid fumes (acrylic acid, acrolein).

Sicherheit und Schutzausrüstung

Fire FightingUse water spray, dry powder, alcohol-resistant foam, carbon dioxide. In case of fire: keep drums, etc., cool by spraying with water.

First Aid Measures · 4 Einträge

Fresh air, rest.

Remove contaminated clothes. Rinse and then wash skin with water and soap.

Rinse with plenty of water (remove contact lenses if easily possible).

Rinse mouth. Give one or two glasses of water to drink. Seek medical attention if you feel unwell.

Safe StorageProvision to contain effluent from fire extinguishing. Store only if stabilized. Keep in the dark. Ventilation along the floor. Store in an area without drain or sewer access.

Spillage Disposal · 1 Eintrag

Personal protection: filter respirator for organic gases and vapours adapted to the airborne concentration of the substance. Do NOT let this chemical enter the environment. Collect leaking liquid in covered containers. Absorb remaining liquid in sand or inert absorbent. Then store and dispose of according to local regulations.

Eye PreventionWear safety spectacles.

Fire PreventionNO open flames. Above 91 °C use a closed system and ventilation.

Toxikologische Informationen

Adverse EffectsLacrimator (Lachrymator) - A substance that irritates the eyes and induces the flow of tears.；Skin Sensitizer - An agent that can induce an allergic reaction in the skin.

Signs and Symptoms · 4 Einträge

Cough.

Redness.

Vomiting. Aspiration hazard!

ICSC Environmental DataThe substance is very toxic to aquatic organisms. It is strongly advised not to let the chemical enter into the environment.

Regulatorische Informationen

Regulatory Information · 4 Einträge

Chemical: 2-Propenoic acid, isooctyl ester

2-Propenoic acid, isooctyl ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2-Propenoic acid, isooctyl 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: 20-07-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/2087

Isooctyl acrylate: Does not have an individual approval but may be used under an appropriate group standard

Sicherheitsdaten

wgk: 2
tsca: TSCA listed
ridadr: UN 3082 9/PG 3
hs_code: 29161240
RTECS-Nr.: UD3391000
risk_code: 36/37/38-51/53-50/53
hazard_code: Xi,N
safety_code: 26-28-61-60-2
hazard_class: 9
packing_group: III
Speicherklasse: 10 - Combustible liquids
Hazard Classifications: Aquatic Acute 1Aquatic Chronic 1Eye Irrit. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Verwendung und Herstellung

UsesUsed as a concrete sealer polymerized at the job site and to make other acrylic polymers; [eChemPortal: SIDSUNEP] Used to make hypoallergenic skin adhesives in medical applications; [AIHA]

U.S. Production2023: 50,000,000 - <100,000,000 lb；2022: 50,000,000 - <100,000,000 lb；2021: 50,000,000 - <100,000,000 lb；2020: 50,000,000 - <100,000,000 lb

Consumer UsesMonomers

Industry UsesMonomers；Binder；Photosensitive chemicals

General Manufacturing Information · 2 Einträge

Electrical Equipment, Appliance, and Component Manufacturing；Adhesive Manufacturing；Other (requires additional information)；Miscellaneous Manufacturing

2-Propenoic acid, isooctyl ester: ACTIVE

Anwendungen · 1 Eintrag

VerwendenIsooctyl acrylate may be used to prepare linear copolymers with cinnamoyloxyethyl methacrylate (CEMA) for applications as oil absorbents. Copolymer of isooctyl acrylate /acrylamine (1:1 mole ratio) was studied as a magnetoelastic CO2 sensor With high sensitivity. Isooctyl acrylate (IOA) based copolymers may be used to prepare pressure-sensitive acrylic medical grade adhesives for skin.