2-(2-丁氧基乙氧基)乙基硫氰酸酯

Description

2-(2-butoxyethoxy)ethyl thiocyanate · CAS 112-56-1 · C9H17NO2S. UNII Z8ANL9B54I. Boiling Point: 248 to 257 °F at 0.25 mmHg (NTP, 1992); Boiling Point: 120-125 °C @ 0.25 MM HG; Flash Point: 125 °F CC.

Identification

CAS Registry Number	112-56-1
PubChem CID	8196
Molecular formula	C9H17NO2S
IUPAC name	2-(2-butoxyethoxy)ethyl thiocyanate
UNII (FDA)	Z8ANL9B54I

Computed Descriptors

Molecular Weight	203.30
XLogP3	1.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	9
Exact Mass	203.09799996
Monoisotopic Mass	203.09799996
Topological Polar Surface Area	67.6
Heavy Atom Count	13
Formal Charge	0

Physical & Chemical Properties

Boiling Point	248 to 257 °F at 0.25 mmHg (NTP, 1992)
Boiling Point	120-125 °C @ 0.25 MM HG
Flash Point	125 °F CC
Density	0.915-0.930 @ 25 °C
Vapor Pressure	0.000594 [mmHg]
LogP	1.68

Physical description & handling notes

• 2-(2-butoxyethoxy)ethyl thiocyanate appears as brownish oil or clear yellow liquid. (NTP, 1992)
• Clear brown liquid; [HSDB] Brownish or clear yellow liquid; [CAMEO]
• LIQUID
• Clear brown oil
• less than 1 mg/mL at 70 °F (NTP, 1992)
• PRACTICALLY INSOL IN WATER; MISCIBLE WITH HYDROCARBONS & MOST ORGANIC SOLVENTS

GHS Hazard Classification

Reported hazard statements	H226, H301, H311, H371

Documented Uses

• Used as contact insecticide and knockdown agent in household, livestock, and industrial sprays; Commercial product is 50% petroleum distillate (kerosene); No longer registered with the EPA for use in the US, cancelled; [HSDB]
• MADE BY REACTING 2-(2-BUTOXYETHOXY)ETHYL CHLORIDE WITH SODIUM THIOCYANATE ... .
• PREPN OF THIOCYANIC ACID 2-(2-HYDROXYETHOXY)ETHYL ESTER, AN EXAMPLE OF AN INTERMEDIATE IN THE PREPN OF INSECTICIDES IN WHICH THE TERMINAL OH GROUP IS ETHERIFIED: BRUSON, US PATENT 2,372,809 (1945 TO ROHM & HAAS).
• ... IT WAS INTRODUCED, IN 1932, BY ROHM & HAAS CO UNDER TRADE NAME 'LETHANE 384' & PROTECTION OF US PATENTS 1,808,893; 2,220,521.
• IT IS COMPATIBLE WITH PYRETHRINS, ROTENONE, PIPERONYL BUTOXIDE, CHLORINATED HYDROCARBON AND ORGANOPHOSPHORUS INSECTICIDES.
• THESE THIOCYANATES HAVE A RAPID PARALYTIC ACTION TO INSECTS THAT IS CLEARLY ATTRIBUTABLE TO THE ACTION OF THE THIOCYANO GROUP. /ORGANOTHIOCYANATES/

Synonyms

2-(2-Butoxyethoxy)ethyl thiocyanate; Lethane; 112-56-1; LETHANE 384; Butyl carbitol rhodanate; ENT 6; Butoxyrhodanodiethyl ether; Butyl carbitol thiocyanate; Lethane 384 regular; 1-Butoxy-2-(2-thiocyanoethoxy)ethane; 2-Butoxy-2'-thiocyanodiethyl ether; Thiocyanic acid, 2-(2-butoxyethoxy)ethyl ester; Ethane, 1-butoxy-2-(2-thiocyanatoethoxy)-; DTXSID6024674; Ethanol, 2-(2-butoxyethoxy)-, thiocyanate; ENT-6

Frequently Asked Questions

What are the CAS number and molecular formula of 2-(2-butoxyethoxy)ethyl thiocyanate?

CAS 112-56-1; molecular formula C9H17NO2S; molecular weight — g/mol.

What other names is 2-(2-butoxyethoxy)ethyl thiocyanate known by?

2-(2-Butoxyethoxy)ethyl thiocyanate, Lethane, 112-56-1, LETHANE 384, Butyl carbitol rhodanate, ENT 6.

Is 2-(2-butoxyethoxy)ethyl thiocyanate classified as hazardous?

Hazard statements reported: H226, H301, H311, H371.

What are the key physical properties of 2-(2-butoxyethoxy)ethyl thiocyanate?

Boiling Point: 248 to 257 °F at 0.25 mmHg (NTP, 1992); Boiling Point: 120-125 °C @ 0.25 MM HG; Flash Point: 125 °F CC; Density: 0.915-0.930 @ 25 °C.

Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.