1,4-Benzenediol,2,5-bis(1,1-dimethylpropyl)-
Product Information
Molecular Formula
C16H26 O2
Molecular Weight
250.38
Description
1,4-Benzenediol,2,5-bis(1,1-dimethylpropyl)-, bearing the alias Butylated hydroxytoluene, refers to an organic architecture that has secured a stronghold in biomedical arenas as a synthetically conceptualized antioxidant. Inhibiting oxidative chemical reactions in pharmaceutical agents, it exhibits a preservative role mitigating degradation threats and potential attenuation of therapeutic potency.
Synonyms
SANTOVAR(R) A; 2,5 DIT(T-PENTYL)-HYDROQUINONE; 2,5-DI-TERT-PENTYLHYDROQUINONE; 2,5-DI-T-PENTYLHYDROQUINONE; 2,5-DI-TERT-AMYLHYDROQUINONE; 2,5-BIS(1,1-DIMETHYLPROPYL)-1,4-BENZENDIOL; 2,5-bis(1,1-dimethylpropyl)hydroquinone; 2,5-Bis(1,1-dimethylpropyl)-1,4-benzen
IUPAC Name
2,5-bis(2-methylbutan-2-yl)benzene-1,4-diol
SMILES
CCC(C)(C)C1=CC(=C(C=C1O)C(C)(C)CC)O
InChI
InChI=1S/C16H26O2/c1-7-15(3,4)11-9-14(18)12(10-13(11)17)16(5,6)8-2/h9-10,17-18H,7-8H2,1-6H3
InChI Key
CZNRFEXEPBITDS-UHFFFAOYSA-N
Boiling Point
364.8°C at 760 mmHg
Melting Point
179°C
Flash Point
162.7°C
Purity
95%
Density
0.99 g/cm3
Solubility
water, 0.9327 mg/L @ 25 °C (est)
Appearance
White powder
Application
Used as an antioxidant for uncured rubber and unsaturated resins and oils; in food packaging; as a polymerization inhibitor; and as a staining protector in rubber.
Storage
Keep container closed when not in use. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.
Refractive Index
1.513
Safety Information
Hazards
H302:
Harmful if swallowed.
H315:
Causes skin irritation.
H319:
Causes serious eye irritation.
Harmful if swallowed.
H315:
Causes skin irritation.
H319:
Causes serious eye irritation.
Precautionary Statement
P264:
Wash thoroughly after handling.
P270:
Do not eat, drink or smoke when using this product.
P280:
Wear protective gloves/protective clothing/eye protection/face protection.
P301+P312+P330:
IF SWALLOWED:
Call a POISON CENTER or doctor/physician if you feel unwell.
Rinse mouth.
P337+P313:
If eye irritation persists:
Get medical advice/attention.
P501:
Dispose of contents/container in accordance with local/regional/national/international regulations.
Wash thoroughly after handling.
P270:
Do not eat, drink or smoke when using this product.
P280:
Wear protective gloves/protective clothing/eye protection/face protection.
P301+P312+P330:
IF SWALLOWED:
Call a POISON CENTER or doctor/physician if you feel unwell.
Rinse mouth.
P337+P313:
If eye irritation persists:
Get medical advice/attention.
P501:
Dispose of contents/container in accordance with local/regional/national/international regulations.
Computed Properties
XLogP3
5.6
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
4
Exact Mass
250.193280068 g/mol
Monoisotopic Mass
250.193280068 g/mol
Topological Polar Surface Area
40.5Ų
Heavy Atom Count
18
Formal Charge
0
Complexity
242
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes
Patents
| Publication Number | Title | Priority Date |
|---|---|---|
| JP-2022040133-A | A photosensitive coloring composition for a color filter for a solid-state image sensor, a color filter, and a solid-state image sensor using the same. | 2021-12-15 |
| JP-2022008395-A | Red coloring composition for organic EL display device, color filter for organic EL display device and organic EL display device | 2021-09-14 |
| KR-102357010-B1 | Manufacturing manufacturing method of metal furniture for interior with enhanced discoloration resistance | 2021-06-21 |
| CN-112961101-A | Novel hindered amine light stabilizer and preparation method and application thereof | 2021-03-05 |
| JP-2021080483-A | Complex | 2021-03-04 |
| KR-102277654-B1 | Impermeable asphalt concrete composition using automatic weighing and supply equipment, its manufacturing method, its construction method | 2021-02-15 |
| KR-102246380-B1 | Self-stick fire extinguishing tape including microcapsule for fire extinguishing and fire extinguishing product using the same | 2020-12-24 |
| CN-112723986-A | Preparation method of p-chloromethyl styrene | 2020-12-24 |
| KR-102245715-B1 | Eco-friendly adhesive composition with enhanced durability and antibacterial properties | 2020-11-09 |
| CN-112143433-A | Low-dielectric-constant adhesive and preparation method thereof | 2020-10-14 |
Literatures
| PMID | Publication Date | Title | Journal |
|---|---|---|---|
| 21353727 | 2011-05-01 | Discovery of novel SERCA inhibitors by virtual screening of a large compound library | European journal of medicinal chemistry |
| 19699645 | 2009-09-15 | Design, synthesis, and biological evaluation of hydroquinone derivatives as novel inhibitors of the sarco/endoplasmic reticulum calcium ATPase | Bioorganic & medicinal chemistry |
| 11856039 | 2002-02-08 | Bond dissociation enthalpies of polyphenols: the importance of cooperative effects | The Journal of organic chemistry |
