Isobutyl isobutyrate

Modify Date: 2024-01-02 01:44:15

Isobutyl isobutyrate Structure
Isobutyl isobutyrate structure
Common Name Isobutyl isobutyrate
CAS Number 97-85-8 Molecular Weight 144.211
Density 0.9±0.1 g/cm3 Boiling Point 144.4±8.0 °C at 760 mmHg
Molecular Formula C8H16O2 Melting Point −81 °C(lit.)
MSDS Chinese USA Flash Point 37.2±0.0 °C
Symbol GHS02 GHS07
GHS02, GHS07
Signal Word Warning

 Names

Name Isobutyl Isobutyrate
Synonym More Synonyms

 Chemical & Physical Properties

Density 0.9±0.1 g/cm3
Boiling Point 144.4±8.0 °C at 760 mmHg
Melting Point −81 °C(lit.)
Molecular Formula C8H16O2
Molecular Weight 144.211
Flash Point 37.2±0.0 °C
Exact Mass 144.115036
PSA 26.30000
LogP 2.47
Vapour Pressure 5.1±0.3 mmHg at 25°C
Index of Refraction 1.410

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
NQ5250000
CHEMICAL NAME :
Isobutyric acid, isobutyl ester
CAS REGISTRY NUMBER :
97-85-8
BEILSTEIN REFERENCE NO. :
1701355
LAST UPDATED :
199710
DATA ITEMS CITED :
10
MOLECULAR FORMULA :
C8-H16-O2
MOLECULAR WEIGHT :
144.24
WISWESSER LINE NOTATION :
1Y1&VO1Y1&1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
12800 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
NPIRI* Raw Material Data Handbook, Vol.1: Organic Solvents, 1974. (National Assoc. of Printing Ink Research Institute, Francis McDonald Sinclair Memorial Laboratory, Lehigh Univ., Bethlehem, PA 18015) Volume(issue)/page/year: 1,13,1974
TYPE OF TEST :
LC50 - Lethal concentration, 50 percent kill
ROUTE OF EXPOSURE :
Inhalation
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
5000 ppm/6H
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
NPIRI* Raw Material Data Handbook, Vol.1: Organic Solvents, 1974. (National Assoc. of Printing Ink Research Institute, Francis McDonald Sinclair Memorial Laboratory, Lehigh Univ., Bethlehem, PA 18015) Volume(issue)/page/year: 1,13,1974
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
12800 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 16,337,1978
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
>8600 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
NPIRI* Raw Material Data Handbook, Vol.1: Organic Solvents, 1974. (National Assoc. of Printing Ink Research Institute, Francis McDonald Sinclair Memorial Laboratory, Lehigh Univ., Bethlehem, PA 18015) Volume(issue)/page/year: 1,13,1974 ** OTHER MULTIPLE DOSE TOXICITY DATA **
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
126 gm/kg/18W-I
TOXIC EFFECTS :
Endocrine - changes in spleen weight
REFERENCE :
FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 16,337,1978 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - M0725 No. of Facilities: 4684 (estimated) No. of Industries: 63 No. of Occupations: 56 No. of Employees: 39405 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - M0725 No. of Facilities: 5036 (estimated) No. of Industries: 58 No. of Occupations: 51 No. of Employees: 64893 (estimated) No. of Female Employees: 19443 (estimated)

 Safety Information

Symbol GHS02 GHS07
GHS02, GHS07
Signal Word Warning
Hazard Statements H226-H315-H319-H335
Precautionary Statements P261-P305 + P351 + P338
Personal Protective Equipment Eyeshields;Faceshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter
Hazard Codes Xi: Irritant;
Risk Phrases R10
Safety Phrases S16-S26-S36
RIDADR UN 2528 3/PG 3
WGK Germany 2
RTECS NQ5250000
Packaging Group III
Hazard Class 3
HS Code 2915600000

 Synthetic Route

 Customs

HS Code 2915900090
Summary 2915900090 other saturated acyclic monocarboxylic acids and their anhydrides, halides, peroxides and peroxyacids; their halogenated, sulphonated, nitrated or nitrosated derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward) MFN tariff:5.5% General tariff:30.0%

 Articles2

More Articles
Response surface methodological approach for the synthesis of isobutyl isobutyrate. Hamsaveni DR, et al.

Process. Biochem. 36(11) , 1103-1109, (2001)

Boric acid catalyzed Tishchenko reactions. Stapp PR.

J. Org. Chem. 38(7) , 1433-1434, (1973)

 Synonyms

Isobutyric acid, isobutyl ester
EINECS 202-612-5
2-Methylpropyl isobutyrate
Isobutyl 2-methylpropanoate
MFCD00008916
Isobutyl isobutanoate
Propanoic acid, 2-methyl-, 2-methylpropyl ester
2-methylpropyl 2-methylpropanoate
Isobutyl isobutyrate
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