Isobutyl acrylate

Modify Date: 2025-08-25 16:32:51

Isobutyl acrylate Structure
Isobutyl acrylate structure
 Common Name Isobutyl acrylate
CAS Number 106-63-8 Molecular Weight 128.16900
Density 0.89 g/mL at 25 °C(lit.) Boiling Point 132 °C(lit.)
Molecular Formula C7H12O2 Melting Point -60°C
MSDS Chinese USA Flash Point 91 °F
Symbol GHS02 GHS07
GHS02, GHS07		 Signal Word Warning

 Names

Name Isobutyl acrylate
Synonym More Synonyms

 Chemical & Physical Properties

Density 0.89 g/mL at 25 °C(lit.)
Boiling Point 132 °C(lit.)
Melting Point -60°C
Molecular Formula C7H12O2
Molecular Weight 128.16900
Flash Point 91 °F
Exact Mass 128.08400
PSA 26.30000
LogP 1.37160
Vapour Pressure 0.062mmHg at 25°C
Index of Refraction n20/D 1.414(lit.)
InChIKey CFVWNXQPGQOHRJ-UHFFFAOYSA-N
SMILES C=CC(=O)OCC(C)C
Stability Stability Heat and light sensitive. Susceptible to polymerisation. Flammable. Incompatible with strong oxidizing agents, aldehydes.

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
AT2100000
CHEMICAL NAME :
Acrylic acid, isobutyl ester
CAS REGISTRY NUMBER :
106-63-8
BEILSTEIN REFERENCE NO. :
1749388
LAST UPDATED :
199712
DATA ITEMS CITED :
13
MOLECULAR FORMULA :
C7-H12-O2
MOLECULAR WEIGHT :
128.19
WISWESSER LINE NOTATION :
1Y1&1OV1U1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
Open irritation test
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
REFERENCE :
UCDS** Union Carbide Data Sheet. (Union Carbide Corp., 39 Old Ridgebury Rd., Danbury, CT 06817) Volume(issue)/page/year: 3/28/1968
TYPE OF TEST :
Standard Draize test
ROUTE OF EXPOSURE :
Administration into the eye
SPECIES OBSERVED :
Rodent - rabbit
REFERENCE :
85JCAE "Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986 Volume(issue)/page/year: -,371,1986 ** ACUTE TOXICITY DATA **
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
7070 uL/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 28,313,1974
TYPE OF TEST :
LC50 - Lethal concentration, 50 percent kill
ROUTE OF EXPOSURE :
Inhalation
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
2000 ppm/4H
TOXIC EFFECTS :
Behavioral - altered sleep time (including change in righting reflex) Lungs, Thorax, or Respiration - dyspnea
REFERENCE :
NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: OTS0535072
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
654 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
AMPMAR Archives des Maladies Professionnelles de Medecine du Travail et de Securite Sociale. (SPPIF, B.P.22, F-41353 Vineuil, France) V.7- 1946- Volume(issue)/page/year: 36,58,1975
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
6106 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
TOLED5 Toxicology Letters. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1977- Volume(issue)/page/year: 11,125,1982
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
760 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JDREAF Journal of Dental Research. (International Assoc. for Dental Research, 734 15th St., NW, Suite 809, Washington, DC 20005) V.1- 1919- Volume(issue)/page/year: 51,526,1972
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
891 uL/kg
TOXIC EFFECTS :
Lungs, Thorax, or Respiration - acute pulmonary edema Gastrointestinal - ulceration or bleeding from stomach
REFERENCE :
NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: OTS0535072 *** REVIEWS *** TOXICOLOGY REVIEW EVHPAZ EHP, Environmental Health Perspectives. (U.S. Government Printing Office, Supt of Documents, Washington, DC 20402) No.1- 1972- Volume(issue)/page/year: 11,141,1975

 Safety Information

Symbol GHS02 GHS07
GHS02, GHS07
Signal Word Warning
Hazard Statements H226-H312 + H332-H315-H317-H335-H412
Precautionary Statements P261-P273-P280
Personal Protective Equipment Eyeshields;Faceshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter
Hazard Codes Xn:Harmful;
Risk Phrases R10;R20/21;R38;R43
Safety Phrases S9-S24-S37
RIDADR UN 2527 3/PG 3
WGK Germany 2
RTECS AT2100000
Packaging Group III
Hazard Class 3
HS Code 2916123090

 Synthetic Route

isobutanol structure

isobutanol

CAS#:78-83-1

Acrylyl chloride structure

Acrylyl chloride

CAS#:814-68-6

~%

Isobutyl acrylate Structure

Isobutyl acrylate

CAS#:106-63-8

Literature: Tetrahedron, , vol. 48, # 31 p. 6371 - 6384
isobutanol structure

isobutanol

CAS#:78-83-1

Acetylene structure

Acetylene

CAS#:74-86-2

~%

Isobutyl acrylate Structure

Isobutyl acrylate

CAS#:106-63-8

Literature: US2582911 , ;
isobutanol structure

isobutanol

CAS#:78-83-1

acrylic acid methyl ester structure

acrylic acid me...

CAS#:292638-85-8

~%

Isobutyl acrylate Structure

Isobutyl acrylate

CAS#:106-63-8

Literature: Journal of the American Chemical Society, , vol. 66, p. 1723
O-acetyl-lactic acid isobutyl ester structure

O-acetyl-lactic...

CAS#:20473-76-1

~%

Isobutyl acrylate Structure

Isobutyl acrylate

CAS#:106-63-8

Literature: Journal of the American Chemical Society, , vol. 67, p. 57
Triethyl phosphate structure

Triethyl phosphate

CAS#:78-40-0

~%

Isobutyl acrylate Structure

Isobutyl acrylate

CAS#:106-63-8

Literature: US2882300 , ;
isobutanol structure

isobutanol

CAS#:78-83-1

hydracrylonitrile structure

hydracrylonitrile

CAS#:109-78-4

~%

Isobutyl acrylate Structure

Isobutyl acrylate

CAS#:106-63-8

Literature: Zhurnal Obshchei Khimii, , vol. 10, p. 867 Chem. Zentralbl., , vol. 111, # II p. 3173
1-Propene,3-(2-methylpropoxy) structure

1-Propene,3-(2-...

CAS#:23186-68-7

Acrylic acid structure

Acrylic acid

CAS#:79-10-7

~%

Isobutyl acrylate Structure

Isobutyl acrylate

CAS#:106-63-8

Literature: DE728834 , ; DRP/DRBP Org.Chem.
Ethanol structure

Ethanol

CAS#:64-17-5

2,3-dibromo-propionic acid isobutyl ester structure

2,3-dibromo-pro...

CAS#:80141-44-2

~%

Isobutyl acrylate Structure

Isobutyl acrylate

CAS#:106-63-8

Literature: Zhurnal Obshchei Khimii, , vol. 15, p. 188 Chem.Abstr., , p. 1783 Zhurnal Obshchei Khimii, , vol. 10, p. 867 Chem. Zentralbl., , vol. 111, # II p. 3173

 Customs

HS Code 2916129000
Summary 2916129000 other esters of acrylic acid VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

 Isobutyl acrylateBioassay

View more

Name: Cytochrome P450 Family 1 Subfamily A Member 2 (CYP1A2) small molecule antagonists: lu...
Source: 824
External Id: CYP273
Name: p53 small molecule agonists, cell-based qHTS assay: qHTS cell viability counter scree...
Source: 824
Target: N/A
External Id: P53600
Name: p53 small molecule agonists, cell-based qHTS assay with rat liver microsomes: qHTS ce...
Source: 824
Target: N/A
External Id: P53MS958
Name: p53 small molecule agonists, cell-based qHTS assay with rat liver microsomes: Summary
Source: 824
External Id: P53MS482
Name: p53 small molecule agonists, cell-based qHTS assay
Source: 824
External Id: P53344
Name: p53 small molecule agonists, cell-based qHTS assay with human liver microsomes
Source: 824
Target: tumor suppressor p53 [Homo sapiens]
External Id: P53MS233
Name: p53 small molecule agonists, cell-based qHTS assay with human liver microsomes: qHTS ...
Source: 824
Target: N/A
External Id: P53MS837
Name: p53 small molecule agonists, cell-based qHTS assay with rat liver microsomes
Source: 824
Target: tumor suppressor p53 [Homo sapiens]
External Id: P53MS898
Name: qHTS Assay for Small Molecule Inhibitors of the Human hERG Channel Activity
Source: NCGC
External Id: HERG01
Name: Adrenergic beta2 receptor (ADRB2) small molecule agonists, cell-based qHTS assay
Source: 824
External Id: ADRB2293
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 Synonyms

EINECS 203-417-8
Acrylic Acid Isobutyl Ester
2-methylpropyl prop-2-enoate
Isobutyl Acrylate
MFCD00042865
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