UCSF

ZINC01666982

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 11 Yes

Popular Name: 4-tert-Butylphenol 4-tert-Butylphenol

Find On: PubMed — Wikipedia — Google

CAS Numbers: 25085-50-1 , 3130-29-8 , 93602-28-9 , 98-54-4 , [98-54-4]

Other Names:

"4-tert-Butylphenol, 96%"

(+/-)-naringenin

1-hydroxy-4-tert-butylbenzene; 2-tert-Butylphenol; 4-(1,1-Dimethylethyl)phenol; 4-t-Butylphenol; 4-tert-Butylphenol; AI3-00126; Butylphen; Caswell No. 130E; EINECS 202-679-0; EPA Pesticide Chemical Code 064113; LS-7244; NSC 3697; PTBP; Phenol, 4-(1,1-dime

1-Hydroxy-4-tert-butylbenzene;2-(4-Hydroxyphenyl)-2-methylpropane;2-Tert-Butylphenol;4-(1, 1-Dimethylethyl)phenol;4-(1,1-Dimethylethyl)-Phenol;4-(1,1-Dimethylethyl)phenol;4-(1,1-Dimethylethyl)phenol, 9CI;4-t-Butylphenol;4-Tert-butyl-Phenol;4-Tertiary-buty

4-(1,1-Dimethylethyl)phenol potassium salt; Caswell No. 130F; EINECS 221-520-6; EPA Pesticide Chemical Code 064114; LS-104507; Phenol, 4-(1,1-dimethylethyl)-, potassium salt; Phenol, p-tert-butyl-, potassium salt; Potassium 4-tert-butylphenate; Potassium

4-(1,1-Dimethylethyl)phenol sodium salt; Caswell No. 130G; EINECS 227-318-4; EPA Pesticide Chemical Code 064115; LS-104508; P-tert-Butylphenol sodium salt; Phenol, 4-(1,1-dimethylethyl)-, sodium salt; Sodium 4-tert-butylphenate; Sodium p-tert-butylphenola

4-(1,1-Dimethylethyl)phenol, formaldehyde polymer; 4-(1,1-Dimethylethyl)phenol, polymer with formaldehyde; Ckm 1634; Formaldehyde, p-tert-butylphenol polymer; Formaldehyde, polymer with 4-(1,1-dimethylethyl)phenol; LS-183087; Paraformaldehyde, formaldehyd

4-(1,1-Dimethylethyl)phenol; 4-tert-Butylphenol; Butylphen; PTBP; p-t-Butyl phenol; p-tert-Butylphenol; para-tertiary-butylphenol

4-(tert-Butyl)phenol

4-tert-Butylphenol Zone Refined (number of passes:19)

4-tert-Butylphenol, 97%

4-tert-Butylphenol, 99%

4-tert-Butylphenol, 99.5%+

4-tert-Butylphenol; 98-54-4; Butylphen; C14200

BUTYLPHENO

CHEBI:117047

LS-186270

MFCD00002367

MFCD00792337

NA

p-tertbutylphenolformaldehyde resin

Potassium t-butylphenoxide

Terbutol

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.16 3.96 -3.26 1 1 0 20 150.221 1 ↓

Vendor Notes

Note Type Comments Provided By
BP [°C] 236 - 238 Acros Organics
Boiling_Point 236-238? Alfa-Aesar
Boiling_Point 236-238° Alfa-Aesar
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Purity 95+% Matrix Scientific
Mp [°C] 96 - 100 Acros Organics
MP 96-101° Oakwood Chemical
Melting_Point 97-101? Alfa-Aesar
Melting_Point 97-101° Alfa-Aesar
MP 98 - 101 Enamine Building Blocks
MP 98...101 Enamine Building Blocks
MP 99 TCI
Hazard C: Corrosive Acros Organics
Hazard C: Corrosive; N: Dangerous for the environment Acros Organics
Patent Database Links EP1980296 ChEBI
H phrase H314: Causes severe skin burns and eye damage Acros Organics
H phrase H314: Causes severe skin burns and eye damage; H411: Toxic to aquatic life with long lasting effects; H361: Suspected of damaging fertility or the unborn child Acros Organics
Warnings MARINE POLLUTANT, TOXIC Matrix Scientific
P phrase P301 + P330 + P331: IF SWALLOWED: rinse mouth. Do NOT induce vomiting Acros Organics
P phrase P301 + P330 + P331: IF SWALLOWED: rinse mouth. Do NOT induce vomiting; P280: Wear eye protection/face protection; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue r Acros Organics
R phrase R34: Causes burns. Acros Organics
R phrase R34: Causes burns.; R51/53: Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment.; R62: Possible risk of impaired fertility. Acros Organics
S phrase S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Acros Organics
S phrase S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S36/37/39: Wear suitable protective clothing, gloves and eye/face protection.; S45: In case of accident or if you feel unwell, seek medical advice immediat Acros Organics
Warnings Toxic/Marine Pollutant Matrix Scientific

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Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.