3-butenyl isothiocyanate

Full Material List
4-isothiocyanatobut-1-ene

Identifiers

FEMA 4418
CAS 3386-97-8
EINECS 222-209-8
Synonyms
  • 3- buten-1-yl isothiocyanate
  • 1- butene-4-isothiocyanate
  • 1- butene, 4-isothiocyanato-
  • 4-iso thiocyanato-1-butene
  • 4-iso thiocyanatobut-1-ene
  • iso thiocyanic acid 3-buten-1-yl ester
  • iso thiocyanic acid but-3-enyl ester
  • iso thiocyanic acid butenyl ester
  • iso thiocyanic acid, 3-butenyl ester
JECFA Food Flavoring 1889
JECFA Food Additive N/A
DG SANTE Food Flavourings 12.283 3-butenyl isothiocyanate
DG SANTE Food Contact Materials N/A
FDA UNII 13O98H1EW1
CoE Number N/A
XlogP3-AA N/A
Molecular Weight 113.18279
Molecular Formula C5 H7 N S

Organoleptic

Organoleptic Notes
Odor N/A
Flavor N/A

Sign in or sign up for free for more info and features

Suppliers

No suppliers are currently related to this material.

Become a FlavScents Supplier

Properties

Food Chemicals Codex Listed No
Appearance colorless clear liquid (est)
Assay 97.00 to 100.00
Specific Gravity 0.98500 to 0.98700 @ 25.00 °C.
Lbs/Gal (est) 8.196 to 8.213
Refractive Index 1.52100 to 1.52300 @ 20.00 °C.
Melting Point N/A
Boiling Point 163.00 to 164.00 °C. @ 760.00 mm Hg
Flash Point 112.00 °F. TCC ( 44.44 °C. )
Acid Value N/A
Vapor Pressure 2.722000 mmHg @ 25.00 °C. (est)
Vapor Density N/A
logP (o/w) 2.692 (est)
Soluble In
  • alcohol
  • water, 460 mg/L @ 20 °C (exp)
  • water
Occurrence
  • bread wheat bread
  • cabbage cooked cabbage - 0.06 mg/kg
  • cabbage leaf
  • cabbage raw cabbage - up to 0.04 mg/kg
  • cauliflower - up to 0.01 mg/kg
  • cress garden cress
  • horseradish
  • horseradish root
  • milk
  • mustard
  • rutabaga
  • turnup
  • wasabi
  • watercress