Isobutyl isovalerate

Modify Date: 2025-08-25 16:58:19

Isobutyl isovalerate Structure
Isobutyl isovalerate structure
Common Name Isobutyl isovalerate
CAS Number 589-59-3 Molecular Weight 158.238
Density 0.9±0.1 g/cm3 Boiling Point 171.0±0.0 °C at 760 mmHg
Molecular Formula C9H18O2 Melting Point N/A
MSDS Chinese USA Flash Point 50.5±5.4 °C
Symbol GHS07
GHS07
Signal Word Warning

 Names

Name Isobutyl Isovalerate
Synonym More Synonyms

 Chemical & Physical Properties

Density 0.9±0.1 g/cm3
Boiling Point 171.0±0.0 °C at 760 mmHg
Molecular Formula C9H18O2
Molecular Weight 158.238
Flash Point 50.5±5.4 °C
Exact Mass 158.130676
PSA 26.30000
LogP 3.00
Vapour Pressure 1.4±0.3 mmHg at 25°C
Index of Refraction 1.415

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
NY1506000
CHEMICAL NAME :
Isovaleric acid, isobutyl ester
CAS REGISTRY NUMBER :
589-59-3
BEILSTEIN REFERENCE NO. :
1702649
LAST UPDATED :
199701
DATA ITEMS CITED :
6
MOLECULAR FORMULA :
C9-H18-O2
MOLECULAR WEIGHT :
158.27
WISWESSER LINE NOTATION :
1Y1&1VO1Y1&1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
Standard Draize test
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
REFERENCE :
FCTOD7 Food and Chemical Toxicology. (Pergamon Press Inc., Maxwell House, Fairview Park, Elmsford, NY 10523) V.20- 1982- Volume(issue)/page/year: 20,725,1982 ** ACUTE TOXICITY DATA **
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
>5 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
FCTOD7 Food and Chemical Toxicology. (Pergamon Press Inc., Maxwell House, Fairview Park, Elmsford, NY 10523) V.20- 1982- Volume(issue)/page/year: 20,725,1982
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
7755 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
IMSUAI Industrial Medicine and Surgery. (Northbrook, IL) V.18-42, 1949-73. For publisher information, see IOHSA5. Volume(issue)/page/year: 41,31,1972
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
>5 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
FCTOD7 Food and Chemical Toxicology. (Pergamon Press Inc., Maxwell House, Fairview Park, Elmsford, NY 10523) V.20- 1982- Volume(issue)/page/year: 20,725,1982 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X9651 No. of Facilities: 11 (estimated) No. of Industries: 1 No. of Occupations: 1 No. of Employees: 193 (estimated) No. of Female Employees: 11 (estimated)

 Safety Information

Symbol GHS07
GHS07
Signal Word Warning
Hazard Statements H315-H319-H335
Precautionary Statements P261-P305 + P351 + P338
Personal Protective Equipment Eyeshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter
Hazard Codes Xi:Irritant;
Risk Phrases R36/37/38
Safety Phrases S26
RIDADR NONH for all modes of transport
WGK Germany 2
RTECS NY1506000
HS Code 2915900090

 Precursor & DownStream

Precursor  1

DownStream  0

 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%

 Synonyms

2-Methylpropyl isovalerate
Isobutyl 3-methylpropanoate
Isovaleric acid, isobutyl ester
UNII-6VCJ0UB168
Butanoic acid, 3-methyl-, 2-methylpropyl ester
EINECS 209-653-8
2-Methylpropyl 3-methylbutyrate
Isobutyl 3-methylbutanoate
2-Methylpropyl 3-methylbutyrate Isobutyl 3-methyl butyrate
2-methylpropyl 3-methylbutanoate
MFCD00048349
Isobutyl isopentanoate
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