CAS 659-70-1|Isoamyl isovalerate

Introduction：Basic information about CAS 659-70-1|Isoamyl isovalerate, 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. Articles1
7. Synonyms

Common Name	Isoamyl isovalerate
CAS Number	659-70-1	Molecular Weight	172.265
Density	0.9±0.1 g/cm3	Boiling Point	194.0±0.0 °C at 760 mmHg
Molecular Formula	C₁₀H₂₀O₂	Melting Point	/
MSDS	ChineseUSA	Flash Point	66.7±0.0 °C
Symbol	GHS07	Signal Word	Warning

Names

Name	Isoamyl Isovalerate
Synonym	More Synonyms

Chemical & Physical Properties

Density	0.9±0.1 g/cm3
Boiling Point	194.0±0.0 °C at 760 mmHg
Molecular Formula	C₁₀H₂₀O₂
Molecular Weight	172.265
Flash Point	66.7±0.0 °C
Exact Mass	172.146332
PSA	26.30000
LogP	3.53
Vapour Pressure	0.5±0.3 mmHg at 25°C
Index of Refraction	1.420
InChIKey	XINCECQTMHSORG-UHFFFAOYSA-N
SMILES	CC(C)CCOC(=O)CC(C)C

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: NY1508000

CHEMICAL NAME :: Isovaleric acid, isopentyl ester

CAS REGISTRY NUMBER :: 659-70-1

BEILSTEIN REFERENCE NO. :: 1753884

LAST UPDATED :: 199701

DATA ITEMS CITED :: 4

MOLECULAR FORMULA :: C10-H20-O2

MOLECULAR WEIGHT :: 172.30

WISWESSER LINE NOTATION :: 1Y1&2OV1Y1&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 :: FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 16,789,1978 ** ACUTE TOXICITY DATA **

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

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rabbit

DOSE/DURATION :: 13956 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 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - T1892 No. of Facilities: 324 (estimated) No. of Industries: 4 No. of Occupations: 8 No. of Employees: 14007 (estimated) No. of Female Employees: 11916 (estimated)

Safety Information

Symbol	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-S36/37/39
RIDADR	NONH for all modes of transport
WGK Germany	2
RTECS	NY1508000
HS Code	2915900090

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%

Articles1

Mosciano, G.

Perfum. Flavor. 4th ed., 24 , 28, (1999)

Synonyms

Isoamyl 3-methylbutanoate

isopentyl isovalerate

Isopentyl 3-methylbutanoate

EINECS 201-730-4

3-methylbutyl isovalerate

Isovaleric acid, isopentyl ester

Butanoic acid, 3-methyl-, 3-methylbutyl ester

3-Methylbutyl 3-methylbutanoate

Isoamyl isopentanoate

Isoamyl 3-methylbutyrate

UNII-16M1VA1FJY

3-Methylbutyl 3-methylbutyrate

Isoamyl valerianate

Isopentyl 3-methylbutyrate

Isopentyl alcohol, isovalerate

isopentyl isopentanoate

MFCD00048369

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