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Tert-Butylhydroquinone 97%

CAT: 0286-B29198-01Size: 100 gDry Ice: NoHazardous: No
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CAT#:0286-B29198-01Size:100 g
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CAS Number
1948-33-0
Synonyms
Mono-tert-butylhydroquinone; MTBHQ
Pictogram
07 - Irritant; 09 - Environmental hazard
UDF Signal Word
Warning
MDL Number
MFCD00002344
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; H410 Very toxic to aquatic life with long-lasting effects.
DOT Name
Not D.O.T.-Regulated
Precautions
P261 Avoid breathing dust/fume/gas/mist/vapors/spray; P273 Avoid release to the environment; 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

Tert-Butylhydroquinone

2-tert-butylhydroquinone is a member of the class of hydroquinones in which one of the ring hydrogens of hydroquinone is replaced by a tert-butyl group. It has a role as a food antioxidant.

CAS Number1948-33-0
PubChem CID16043
IUPAC Name2-tert-butylbenzene-1,4-diol
Molecular FormulaC10H14O2
Molecular Weight166.22
XLogP2.8
Topological Polar Surface Area40.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count12
Formal Charge0
Complexity148
SMILES
CC(C)(C)C1=C(C=CC(=C1)O)O
InChI
InChI=1S/C10H14O2/c1-10(2,3)8-6-7(11)4-5-9(8)12/h4-6,11-12H,1-3H3
InChIKey
BGNXCDMCOKJUMV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Tert-Butylhydroquinone
CAS: 1948-33-0
CID: 16043
Formula: C10H14O2
MW: 166.22
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight166.22
XLogP32.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass166.099379685
Monoisotopic Mass166.099379685
Topological Polar Surface Area40.5 Ų
Heavy Atom Count12
Formal Charge0
Complexity148
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

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