Basic information
- CAS
51390-14-8- Standard SMILES
CCC(C)c1cc(C(C)(C)C)ccc1O- InChIKey
JKFZLMPBXBMSPD-UHFFFAOYSA-N- Molecular formula
- C14H22O
- Average molar mass
- 206.32 g/mol
- Monoisotopic mass
- 206.16706532
Names & identifiers
- Preferred name
- 2-(1-Methylpropyl)-4-tert-butylphenol
- IUPAC
- 2-butan-2-yl-4-tert-butylphenol
- English name
- 2-sec-4-Tert butylphenol
- Molecular formula
- C14H22O
- Molecular weight
- 206.32
Names & synonyms
51390-14-82-(1-Methylpropyl)-4-tert-butylphenolEC 421-740-4RefChem:451183421-740-44-tert-butyl-2-sec-butylphenol2-butan-2-yl-4-tert-butylphenol2-SEC-BUTYL-4-TERT-BUTYLPHENOL2-(butan-2-yl)-4-tert-butylphenolSCHEMBL2034981SCHEMBL5522780DTXSID20335588
Show more names
2-sec-4-Tert butylphenolo-sec-4-tert-ButylphenolPhenol, 4-(1,1-dimethylethyl)-2-(1-methylpropyl)-
2-sec.-butyl-4-tert.-butylphenolNS000095284-(1,1-Dimethylethyl)-2-(1-methylpropyl)phenol
Database identifiers
- CAS
51390-14-8- PubChem CID
- 526207
- DTXSID
DTXSID20335588- EC Number
- 421-740-4
- Nikkaji
- J1.297.743C
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 192
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- Boiling point
- 278.1 · 278.1±9.0 °C(Predicted)
- Density
- 0.933 · 0.933±0.06 g/cm3(Predicted)
- solubility
- Ether; Ethyl Acetate
- pka
- 10.49 · 10.49±0.48(Predicted)
- form
- Liquid Colorless
- EWG's Food Scores
- 1 · 1
- Symbol(GHS)
- 5 · GHS05,GHS09
- Signal word
- Danger
- Hazard statements
- 314 · H314-H411
- Precautionary statements
- 260 · P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501
- Hazard Codes
- C,N
- Risk Statements
- 34 · 34-51/53
- Safety Statements
- 26 · 26-36/37/39-45-61
- REACH Registrations
- Inactive
Safety & regulation
GHS classification
GHS Classification
Danger
H314: Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P264, P273, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P391, P405, and P501 (click each P-code to see the statement)
Danger
H314: Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P264, P273, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P391, P405, and P501 (click each P-code to see the statement)
Hazard information
Regulatory InformationStatus: Active Update: 10-11-2008 https://echa.europa.eu/registration-dossier/-/registered-dossier/2614
Hazard Classes and Categories
Skin corrosion - category 1B
Skin Corr. 1B
Safety data
- risk_code
- 34-51/53
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS09
- hazard_code
- C,N
- safety_code
- 26-36/37/39-45-61
- Hazard statements
- H314-H411
- REACH Registrations
- Inactive
- Precautionary statements
- P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501
Chemistry & industry
Applications
Uses2-sec-Butyl-4-tert-butylphenol is an intermediate in the synthesis of 2-(2H-Benzotriazol-2-yl)-4-(tert-butyl)-6-(sec-butyl)phenol (B206645), which is often used to increase product stability and to prevent discolouration in various consumer and industrial goods such as plastics. Benzotriazole UV stabilizers, such as 2-(2H-Benzotriazol-2-yl)-4-(tert-butyl)-6-(sec-butyl)pheno, are pollutants for the aquatic environment and have been implicated as a potential stable and toxic ligands for the aryl hydrocarbon receptor in human.
Suppliers4 total
镇江中智化学科技有限公司0511-15050866711; 15050866711 · [email protected]
苏州熙思纯生化科技有限公司13913198829
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
南京大唐化工有限责任公司025-85431992 13951889900 · [email protected]
Related reactions
2 records
Compound notes
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