2,4-Di-tert-pentylphenol

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Names

[ CAS No. ]:
120-95-6

[ Name ]:
2,4-Di-tert-pentylphenol

[Synonym ]:
2,4-Bis(2-methyl-2-butanyl)phenol
2,4-Di-tert-pentylphenol
EINECS 204-439-0
MFCD00041929
2,4-Di-tert-amylphenol
2,4-Bis(2-methylbutan-2-yl)phenol
Phenol, 2,4-bis(1,1-dimethylpropyl)-
2,4-bis(1,1-dimethylpropyl)phenol

Chemical & Physical Properties

[ Density]:
0.9±0.1 g/cm3

[ Boiling Point ]:
285.1±0.0 °C at 760 mmHg

[ Melting Point ]:
25 °C(lit.)

[ Molecular Formula ]:
C₁₆H₂₆O

[ Molecular Weight ]:
234.377

[ Flash Point ]:
139.9±7.8 °C

[ Exact Mass ]:
234.198364

[ PSA ]:
20.23000

[ LogP ]:
5.92

[ Vapour Pressure ]:
0.0±0.6 mmHg at 25°C

[ Index of Refraction ]:
1.495

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: SL3500000

CHEMICAL NAME :: Phenol, 2,4-di-tert-pentyl-

CAS REGISTRY NUMBER :: 120-95-6

BEILSTEIN REFERENCE NO. :: 2370274

LAST UPDATED :: 199710

DATA ITEMS CITED :: 4

MOLECULAR FORMULA :: C16-H26-O

MOLECULAR WEIGHT :: 234.42

WISWESSER LINE NOTATION :: 2X1&1&R XQ XX2&1&1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: Standard Draize test

ROUTE OF EXPOSURE :: Administration into the eye

SPECIES OBSERVED :: Rodent - rabbit

REFERENCE :: IHFCAY Industrial Hygiene Foundation of America, Chemical and Toxicological Series, Bulletin. (Pittsburgh, PA) 1947-69. Volume(issue)/page/year: 6,1,1967 ** ACUTE TOXICITY DATA **

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 330 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: IHFCAY Industrial Hygiene Foundation of America, Chemical and Toxicological Series, Bulletin. (Pittsburgh, PA) 1947-69. Volume(issue)/page/year: 6,1,1967

Safety Information

[ Symbol ]:

GHS07

[ Signal Word ]:
Warning

[ Hazard Statements ]:
H302-H319

[ Precautionary Statements ]:
P305 + P351 + P338

[ Personal Protective Equipment ]:
Eyeshields;Faceshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter

[ Hazard Codes ]:
Xn:Harmful;

[ Risk Phrases ]:
R22;R36/38

[ Safety Phrases ]:
S26-S37/39

[ RIDADR ]:
NONH for all modes of transport

[ WGK Germany ]:
2

[ RTECS ]:
SL3500000

[ Packaging Group ]:
I; II; III

[ HS Code ]:
2907199090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

N-{δ-[2,4-di(tert-amyl)phenoxy]butyl}phthalimide
2-Methylbut-2-ene
Phenol
Isobutylene
4-tert-Amylphenol
2-CHLORO-2-METHYLBUTANE

DownStream

4-(2,4-Di-tert-pentylphenoxy)butyric acid
4-[2,4-bis(2-methylbutan-2-yl)phenoxy]benzene-1,2-dicarbonitrile
4-tert-Amylphenol
4-(2,4-Di-tert-pentylphenoxy)butan-1-amine
2,4-Di(tert-pentyl)phenoxyacetic acid
2-(2,4-Di-tert-pentylphenoxy)butryic acid
1-HYDROXY-N-[4-(2,4-DI-TERT-PENTYLPHENOXY)BUTYL]-2-NAPHTHAMIDE
β-(2,4-Di-t-amylphenoxy)propionitrile
[2,4-bis(1,1-dimethylpropyl)phenoxy]acetyl chloride
2-[2,4-bis(1,1-Dimethylpropyl) phenoxy] butyric acid ethyl ester

Customs

[ HS Code ]: 2907199090

[ Summary ]:
2907199090 other monophenols VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:5.5% General tariff:30.0%

Articles

Thermochemistry of phenols: quantification of the ortho-, para-, and meta-interactions in tert-alkyl substituted phenols. Verevkin SP.

J. Chem. Thermodyn. 31(5) , 559-85, (1999)

Enzymatic synthesis of Tinuvin. Schroeder M, et al.

Enzyme Microb. Technol. 40(7) , 1748-1752, (2007)

Molecular association and monolayer formation of soluble phthalocyanine compounds. Viktorova EA, et al.

Russ. Chem. Bull. 9(8) , 1402-1402, (1960)

6-[(2-Nitrophenyl)azo]-2,4-di-tert-pentylphenol
2,4-DI-TERT-BUTYL-6-[(4-HYDROXY-BENZYLIDENE)-AMINO]-PHENOL
2,4-di-tert-butylphenol, ethoxylated
2,4-Di-tert-butyl-N,N,N',N'-tetramethyl-2,4-diphenylcyclobutanedisilazane-1,3-diamine
2,4-Di-tert-butylphenol-d19
2,4-Di-tert-butyl-2,4-diaza- 1,3,5-trisilapentane