Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D
查看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
- 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
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
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
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
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
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
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
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
REACTIONS
参与反应
uspto-grants-2014_02 · 10.6084/m9.figshare.5104873.v1 · US08642616B2
查看uspto-grants-2014_02 · 10.6084/m9.figshare.5104873.v1 · US08642616B2
查看uspto-grants-2007_02 · 10.6084/m9.figshare.5104873.v1 · US07182955B2
查看uspto-grants-2000_10 · 10.6084/m9.figshare.5104873.v1 · US06132760
查看uspto-grants-2000_10 · 10.6084/m9.figshare.5104873.v1 · US06136807
查看uspto-grants-2000_10 · 10.6084/m9.figshare.5104873.v1 · US06136807
查看uspto-grants-1989_04 · 10.6084/m9.figshare.5104873.v1 · US04822706
查看