反应SMILES:C=CC(=O)OCCCCCC(C)C
HCID165746

Isooctyl acrylate

6-methylheptyl prop-2-enoate

C11H20O2184.27 g/molCAS 29590-42-9

IDENTITY

结构与身份

标准SMILES
C=CC(=O)OCCCCCC(C)C
InChIKey
DXPPIEDUBFUSEZ-UHFFFAOYSA-N
分子式
C11H20O2
平均分子量
184.27 g/mol
单同位素质量
184.14632988

COMPUTED

结构计算性质

已同步
XLogP
4.2
极性表面积
26.3 Ų
氢键供体
0
氢键受体
2
可旋转键
8
重原子
13
形式电荷
0
复杂度
150

PROPERTIES

实验与物化性质

来源:PubChem
LogP

3.93

Density

0.9 g/cm³

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

Viscosity

2 mm²/s at 25 °C

Solubility

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

Flash Point

91 °C

91 °C c.c.

Boiling Point

196.8 °C

Vapor Density

Relative vapor density (air = 1): 6.4

Vapor Pressure

0.15 [mmHg]

Vapor pressure, Pa at 25 °C: 133.3

Physical Description

Liquid; CBI

Colorless liquid; [CHEMINFO]

COLOURLESS LIQUID.

Kovats Retention Index

1219

1232;1232;1235

1480;1478

GHS

GHS分类

来源:PubChem
GHS Classification

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

HAZARDS

危害信息

来源:PubChem
Regulatory Information

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 Hazards

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

Hazards Summary

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 Classification

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

UN Classification

UN Hazard Class: 9; UN Pack Group: III

Chemical Dangers

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

Hazard Classes and Categories

Skin Irrit. 2 (98.7%);Eye Irrit. 2 (98.7%);STOT SE 3 (98.7%);Aquatic Acute 1 (99.8%);Aquatic Chronic 1 (98.7%)

Eye irritation - category 2;Specific target organ toxicity (single exposure) - category 3;Skin irritation - category 2;Hazardous to the aquatic environment (acute) - category 1;Hazardous to the aquatic environment (chronic) - category 1

Flammable liquids - Category 4;Specific target organ toxicity - Single exposure - Category 3 (Narcotic effects);Hazardous to the aquatic environment (Acute) - Category 1;Hazardous to the aquatic environment (Long-term) - Category 1

STOT SE 3;Skin Irrit. 2;Eye Irrit. 2;Aquatic Acute 1;Aquatic Chronic 1

SAFETY

安全与防护

来源:PubChem
Fire Fighting

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

First Aid Measures

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 Storage

Provision 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

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 Prevention

Wear safety spectacles.

Fire Prevention

NO open flames. Above 91 °C use a closed system and ventilation.

Inhalation Risk

No indication can be given about the rate at which a harmful concentration of this substance in the air is reached on evaporation at 20 °C.

Skin Prevention

Protective clothing. Protective gloves.

Exposure Prevention

AVOID ALL CONTACT!

Ingestion Prevention

Do not eat, drink, or smoke during work.

Inhalation Prevention

Use ventilation, local exhaust or breathing protection.

Effects of Long Term Exposure

Repeated or prolonged contact may cause skin sensitization.

TOXICITY

毒理信息

来源:PubChem
Adverse Effects

Lacrimator (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

Cough.

Redness.

Redness.

Vomiting. Aspiration hazard!

ICSC Environmental Data

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

REGULATORY

法规信息

来源:PubChem
Regulatory Information

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

USES

用途与制造

来源:PubChem
Uses

Used 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. Production

2023: 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 Uses

Monomers

Industry Uses

Monomers;Binder;Photosensitive chemicals

General Manufacturing Information

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

2-Propenoic acid, isooctyl ester: ACTIVE

ALIASES

名称与别名

共 51 条
ISOOCTYL ACRYLATE29590-42-92-Propenoic acid, isooctyl esterAcrylic acid, isooctyl esterGU1V16S82FDTXSID8027955RefChem:7640249-707-86-Methylheptyl acrylate6-methylheptyl prop-2-enoateIso-octyl acrylate54774-91-3isooctylacrylate2-Propenoic acid, 6-methylheptyl esterIsooctyl acrylate monomerMFCD000806022-propenoic acid 6-methylheptyl esterDSSTox_CID_7955DSSTox_RID_78622DSSTox_GSID_27955

REACTIONS

参与反应

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