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Tributyl citrate 99%

CAT: 0286-T18515-03Size: 1000 gDry Ice: NoHazardous: No
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CAT#:0286-T18515-03Size:1000 g
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CAS Number
77-94-1
Synonyms
Tri-n-butyl citrate
Pictogram
07 - Irritant
UDF Signal Word
Warning
MDL Number
MFCD00027217
Hazard Statement
H302 Harmful if swallowed; H312 Harmful in contact with skin; H315 Causes skin irritation; H319 Causes serious eye irritation; H332 Harmful if inhaled; H335 May cause respiratory irritation.
DOT Name
Not D.O.T.-Regulated
Precautions
P261 Avoid breathing dust/fume/gas/mist/vapors/spray; P280 Wear protective gloves/protective clothing/eye protection/face protection; P301+P312 IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell; P302+P352 IF ON SKIN: wash with plenty of soap and water; P304+P340 IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing; P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing; P332+P313 IF SKIN irritation occurs: Get medical advice/attention.

Chemical Information

Tributyl Citrate

Tributyl citrate is a carbonyl compound.

CAS Number77-94-1
PubChem CID6507
IUPAC Nametributyl 2-hydroxypropane-1,2,3-tricarboxylate
Molecular FormulaC18H32O7
Molecular Weight360.4
XLogP2.7
Topological Polar Surface Area99.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count17
Heavy Atom Count25
Formal Charge0
Complexity382
SMILES
CCCCOC(=O)CC(CC(=O)OCCCC)(C(=O)OCCCC)O
InChI
InChI=1S/C18H32O7/c1-4-7-10-23-15(19)13-18(22,17(21)25-12-9-6-3)14-16(20)24-11-8-5-2/h22H,4-14H2,1-3H3
InChIKey
ZFOZVQLOBQUTQQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Tributyl Citrate
CAS: 77-94-1
CID: 6507
Formula: C18H32O7
MW: 360.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight360.4
XLogP32.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count17
Exact Mass360.21480336
Monoisotopic Mass360.21480336
Topological Polar Surface Area99.1 Ų
Heavy Atom Count25
Formal Charge0
Complexity382
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes