CAS 29590-42-9 Isooctyl acrylate (HCID 165746)

名称と識別子

優先名称: Isooctyl acrylate
IUPAC: 6-methylheptyl prop-2-enoate
現地名: アクリル酸イソオクチル
英語名: ISOOCTYL ACRYLATE
分子式: C11H20O2
分子量: 184.28

名称と別名

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

名称をさらに表示

イソオクチルアクリレ-トアクリル酸イソオクチルイソオクチル＝アクリラートイソオクチルアクリラートイソオクチルアクリレート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

データベース識別子

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

物性

構造計算による物性

XLogP: 4.2
極性表面積: 26.3 Å²
水素結合供与体数: 0
水素結合受容体数: 2
回転可能結合数: 8
重原子数: 13
形式電荷: 0
複雑度: 150

実験および物理化学的性質

LogP3.93

Density · 2 件

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 件

91 °C

91 °C c.c.

Boiling Point196.8 °C

物理化学的性質

融点: -58.7 °C · -58.7°C (estimate)
沸点: 125 °C20 · 125 °C20 mm Hg(lit.)
比重(密度): 0.88 g/mL · 0.88 g/mL at 25 °C(lit.)
蒸気圧: 1.067 hPa · 1.067hPa at 20℃
屈折率: 20 · n20/D 1.437(lit.)
闪点: 177 °F · 177 °F
外見: 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 データベース: 29590 · 29590-42-9(CAS DataBase Reference)
EPAの化学物質情報: Isooctyl acrylate (29590-42-9)

安全と法規制

GHS分類

GHS Classification · 6 件

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

危険有害性情報

Regulatory Information · 4 件

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 件

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).

安全と保護具

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 件

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 件

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.

毒性情報

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 件

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.

法規制情報

Regulatory Information · 4 件

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

安全データ

wgk: 2
tsca: TSCA listed
rtecs: UD3391000
ridadr: UN 3082 9/PG 3
hs_code: 29161240
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
Hazard Classifications: Aquatic Acute 1Aquatic Chronic 1Eye Irrit. 2Skin Irrit. 2STOT SE 3
ストレージクラス: 10 - Combustible liquids

化学と産業

用途と製造

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 件

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

2-Propenoic acid, isooctyl ester: ACTIVE

応用分野 · 3 件

用途粘着剤?接着剤原料

使用Isooctyl 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.

一般的な説明The structure of Isooctyl acrylate consists of eight carbon alkyl esters of acrylic acid.