isoamyl isothiocyanate

Modify Date: 2025-08-30 11:15:22

isoamyl isothiocyanate Structure
isoamyl isothiocyanate structure
Common Name isoamyl isothiocyanate
CAS Number 628-03-5 Molecular Weight 129.22300
Density 0.92 g/cm3 Boiling Point 185.1ºC at 760 mmHg
Molecular Formula C6H11NS Melting Point N/A
MSDS N/A Flash Point 59.4ºC

 Names

Name 3-Methylbutyl isothiocyanate
Synonym More Synonyms

 Chemical & Physical Properties

Density 0.92 g/cm3
Boiling Point 185.1ºC at 760 mmHg
Molecular Formula C6H11NS
Molecular Weight 129.22300
Flash Point 59.4ºC
Exact Mass 129.06100
PSA 44.45000
LogP 2.13530
Index of Refraction 1.484
InChIKey JATNWMBUDXLMEO-UHFFFAOYSA-N
SMILES CC(C)CCN=C=S

 Safety Information

Hazard Codes Xi
Risk Phrases R20/21/22
Safety Phrases 26-36/37/39
RIDADR UN 2810
HS Code 2930909090

 Synthetic Route

~67%

isoamyl isothiocyanate Structure

isoamyl isothio...

CAS#:628-03-5

Literature: Albanese; Penso Synthesis, 1991 , # 11 p. 1001 - 1002

~%

isoamyl isothiocyanate Structure

isoamyl isothio...

CAS#:628-03-5

Literature: Journal of the American Chemical Society, , vol. 74, p. 1104

~96%

isoamyl isothiocyanate Structure

isoamyl isothio...

CAS#:628-03-5

Literature: Blotny, Grzegorz Liebigs Annalen der Chemie, 1982 , # 10 p. 1927 - 1932

~%

isoamyl isothiocyanate Structure

isoamyl isothio...

CAS#:628-03-5

Literature: Monatshefte fuer Chemie, , vol. 37, p. 639

~%

isoamyl isothiocyanate Structure

isoamyl isothio...

CAS#:628-03-5

Literature: Liebigs Annalen der Chemie, , # 10 p. 1927 - 1932

~%

isoamyl isothiocyanate Structure

isoamyl isothio...

CAS#:628-03-5

Literature: Recueil des Travaux Chimiques des Pays-Bas, , vol. 45, p. 422 Chem. News J. Ind. Sci., , vol. 134, p. 5 Chem. Zentralbl., , vol. 98, # I p. 1300

 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-3-methylbutane
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