CAS 120-50-3|Isobutyl benzoate

Introduction：Basic information about CAS 120-50-3|Isobutyl benzoate, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.

Table of Contents

1. Names
2. Chemical & Physical Properties
3. Toxicological Information
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
4. Safety Information
5. Customs
6. Articles2
7. Synonyms

Common Name	Isobutyl benzoate
CAS Number	120-50-3	Molecular Weight	178.228
Density	1.0±0.1 g/cm3	Boiling Point	241.1±8.0 °C at 760 mmHg
Molecular Formula	C₁₁H₁₄O₂	Melting Point	/
MSDS	ChineseUSA	Flash Point	101.4±6.0 °C

Names

Name	isobutyl benzoate
Synonym	More Synonyms

Chemical & Physical Properties

Density	1.0±0.1 g/cm3
Boiling Point	241.1±8.0 °C at 760 mmHg
Molecular Formula	C₁₁H₁₄O₂
Molecular Weight	178.228
Flash Point	101.4±6.0 °C
Exact Mass	178.099380
PSA	26.30000
LogP	3.61
Vapour Pressure	0.0±0.5 mmHg at 25°C
Index of Refraction	1.497
InChIKey	KYZHGEFMXZOSJN-UHFFFAOYSA-N
SMILES	CC(C)COC(=O)c1ccccc1

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: DH4185000

CHEMICAL NAME :: Benzoic acid, 2-methylpropyl ester

CAS REGISTRY NUMBER :: 120-50-3

BEILSTEIN REFERENCE NO. :: 2045961

LAST UPDATED :: 199701

DATA ITEMS CITED :: 3

MOLECULAR FORMULA :: C11-H14-O2

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 :: 5600 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: TOVEFN Toksikologicheskii Vestnik. (18-20 Vadkovskii per. Moscow, 101479, Russia) History Unknown Volume(issue)/page/year: (4),40,1994

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 4800 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: TOVEFN Toksikologicheskii Vestnik. (18-20 Vadkovskii per. Moscow, 101479, Russia) History Unknown Volume(issue)/page/year: (4),40,1994

Safety Information

Personal Protective Equipment	Eyeshields;Gloves
Safety Phrases	S24/25
RIDADR	NONH for all modes of transport
WGK Germany	2
RTECS	DH4185000
HS Code	4002191900

Customs

HS Code	2916310090
Summary	2916310090 other benzoic acid and its salts and esters。supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward)。VAT:17.0%。tax rebate rate:9.0%。MFN tariff:6.5%。general tariff:30.0%

Articles2

Surfactant properties of ionic liquids containing short alkyl chain imidazolium cations and ibuprofenate anions.

Phys. Chem. Chem. Phys. 13(34) , 15523-9, (2011)

Interfacial tension, electrical conductivity, NMR self-diffusion and DLS experiments have been used to investigate the self-aggregation in water of ionic liquids associating an ibuprofenate anion and ...

[Rationale for maximum allowable concentration of isobutyl benzoate in atmospheric air of populated areas].

Gig. Sanit. (2) , 15-6, (1994)

Synonyms

Benzoic Acid Isobutyl Ester

Benzoic acid, 2-methylpropyl ester

MFCD00048344

2-methylpropyl benzoate

Isobutyl benzoate

EINECS 204-401-3

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