CAS 591-82-2|Isobutyl Isothiocyanate

Introduction：Basic information about CAS 591-82-2|Isobutyl Isothiocyanate, 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
MUTATION DATA
4. Safety Information
5. Customs
6. Synonyms

Common Name	Isobutyl Isothiocyanate
CAS Number	591-82-2	Molecular Weight	115.19700
Density	0.94	Boiling Point	160 °C
Molecular Formula	C₅H₉NS	Melting Point	/
MSDS	ChineseUSA	Flash Point	24°C

Names

Name	Isobutyl Isothiocyanate
Synonym	More Synonyms

Chemical & Physical Properties

Density	0.94
Boiling Point	160 °C
Molecular Formula	C₅H₉NS
Molecular Weight	115.19700
Flash Point	24°C
Exact Mass	115.04600
PSA	44.45000
LogP	1.74520
Index of Refraction	1.4980
InChIKey	NSDDRJXKROCWRZ-UHFFFAOYSA-N
SMILES	CC(C)CN=C=S

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: NX8780100

CHEMICAL NAME :: Isothiocyanic acid, isobutyl ester

CAS REGISTRY NUMBER :: 591-82-2

BEILSTEIN REFERENCE NO. :: 1740371

LAST UPDATED :: 199612

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C5-H9-N-S

MOLECULAR WEIGHT :: 115.21

WISWESSER LINE NOTATION :: SCN1Y1&1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

MUTATION DATA

TYPE OF TEST :: Mutation in microorganisms

TEST SYSTEM :: Bacteria - Salmonella typhimurium

DOSE/DURATION :: 100 ug/plate

REFERENCE :: ABCHA6 Agricultural and Biological Chemistry. (Maruzen Co. Ltd., POB 5050, Tokyo International, Tokyo 100-31, Japan) V.25- 1961- Volume(issue)/page/year: 44,3017,1980

Safety Information

Hazard Codes	C:Corrosive;
Risk Phrases	R10;R20/21/22;R36/37/38
Safety Phrases	S16-S26-S36/37/39
RIDADR	1992
RTECS	NX8780100
Packaging Group	III
Hazard Class	3
HS Code	2930909090

Customs

HS Code	2930909090
Summary	2930909090. other organo-sulphur compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

Synonyms

1-isothiocyanato-2-methylpropane

MFCD00022062

EINECS 209-733-2

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