Decane, 1-isothiocyanato-

HCID 90535

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 24540-94-1
Standard SMILES: CCCCCCCCCCN=C=S
InChIKey: HFWWGJSMDPUEFD-UHFFFAOYSA-N
Molecular formula: C11H21NS
Average molar mass: 199.36 g/mol
Monoisotopic mass: 199.13947067

Names & identifiers

Preferred name: Decane, 1-isothiocyanato-
IUPAC: 1-isothiocyanatodecane
English name: Decyl isothiocyanate
Molecular formula: C11H21NS
Molecular weight: 199.36

Names & synonyms

Decyl isothiocyanateDecane, 1-isothiocyanato-DTXSID1066998RefChem:131179DTXCID8037093HFWWGJSMDPUEFD-UHFFFAOYSA-N24540-94-11-Isothiocyanatodecane1-decyl isothiocyanateMFCD00041120n-decylisothiocyanate1-Isothiocyanatodecane #

Show more names

1-isothiocyanato-decanN-DECYL ISOTHIOCYANATEDecyl isothiocyate, 99%1-Decylisothiocyanate,96%

SCHEMBL332310orb1987287GEO-03388AKOS006228596FS-4460T21135F008787

Database identifiers

CAS: 24540-94-1
PubChem CID: 90535
DTXSID: DTXSID1066998
EC Number: 670-993-9
Nikkaji: J246.573F

Properties

Computed structural properties

XLogP: 6.1
Topological polar surface area: 44.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 9
Heavy atoms: 13
Formal charge: 0
Complexity: 139

Physicochemical properties

Boiling point: 171 °C · 171 °C
Density: 0.89 · 0.89
refractive index: 1.486 · 1.4860
Flash point: 170 · 170-171°C/35mm
Specific Gravity: 0.89 · 0.89
Sensitive: Moisture Sensitive
BRN: 6288335 · 6288335
EPA Substance Registry System: 1 · Decane, 1-isothiocyanato- (24540-94-1)
Symbol(GHS): 5 · GHS05,GHS06
Signal word: Warning
Hazard statements: 301 · H301-H311-H314-H318-H332
Precautionary statements: 260 h-P301+P310a-P303+P361+P353-P305+P351+P338-P405-P501a · P260h-P301+P310a-P303+P361+P353-P305+P351+P338-P405-P501a
Risk Statements: 20 · 20/22-36/38
Safety Statements: 26 · 26-36/37/39
RIDADR: 2810 · 2810
TSCA: TSCA listed
HazardClass: 6.1 · 6.1
PackingGroup: II
Limited Quantities: 5 L · 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 5 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

tsca: TSCA listed
ridadr: 2810
risk_code: 20/22-36/38
Signal word: Warning
Symbol(GHS): GHS05,GHS06
safety_code: 26-36/37/39
hazard_class: 6.1
packing_group: II
Hazard statements: H301-H311-H314-H318-H332
Limited Quantities: 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
Precautionary statements: P260h-P301+P310a-P303+P361+P353-P305+P351+P338-P405-P501a