4-tert-Octylphenol

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Names

[ CAS No. ]:
140-66-9

[ Name ]:
4-tert-Octylphenol

[Synonym ]:
Phenol, 4-(1,1,3,3-tetramethylbutyl)-
4-(tert-octyl)phenol
4-tert-octyl phenol
Phenol, p- (1,1,3,3-tetramethylbutyl)-
4-(2,4,4-trimethylpentan-2-yl)phenol
EINECS 205-426-2
Phenol, 4- (1,1,3,3-tetramethylbutyl)-
4-(1,1,3,3-TetraMethylbutyl)phenol
p-(Tert-octyl)-Phenol
p-tert-octylphenol
4-(2,4,4-Trimethyl-2-pentanyl)phenol
p-(1,1,3,3-tetramethylbutyl)phenol
MFCD00002368
tert-octylphenol
t-octylphenol
phenol, 4-tert-octyl-
4-tert-octylphenol
para-tert-Octylphenol
Phenol, p-(tert-octyl)-
p-tert octylphenol（PTOP）

Chemical & Physical Properties

[ Density]:
0.9±0.1 g/cm3

[ Boiling Point ]:
282.3±0.0 °C at 760 mmHg

[ Melting Point ]:
79-82 °C(lit.)

[ Molecular Formula ]:
C₁₄H₂₂O

[ Molecular Weight ]:
206.324

[ Flash Point ]:
148.3±8.2 °C

[ Exact Mass ]:
206.167068

[ PSA ]:
20.23000

[ LogP ]:
4.93

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

[ Index of Refraction ]:
1.501

[ Storage condition ]:
Refrigerator

[ Stability ]:
Stable. Incompatible with strong oxidizing agents, strong bases.

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: SM9625000

CHEMICAL NAME :: Phenol, p-(1,1,3,3-tetramethylbutyl)-

CAS REGISTRY NUMBER :: 140-66-9

BEILSTEIN REFERENCE NO. :: 0513992

LAST UPDATED :: 199710

DATA ITEMS CITED :: 11

MOLECULAR FORMULA :: C14-H22-O

MOLECULAR WEIGHT :: 206.36

WISWESSER LINE NOTATION :: QR DX1&1&1X1&1&1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: Standard Draize test

ROUTE OF EXPOSURE :: Administration onto the skin

SPECIES OBSERVED :: Rodent - rabbit

REFERENCE :: 85JCAE "Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986 Volume(issue)/page/year: -,228,1986

TYPE OF TEST :: Standard Draize test

ROUTE OF EXPOSURE :: Administration into the eye

SPECIES OBSERVED :: Rodent - rabbit

REFERENCE :: 85JCAE "Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986 Volume(issue)/page/year: -,228,1986 ** ACUTE TOXICITY DATA **

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

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 4600 mg/kg

TOXIC EFFECTS :: Behavioral - somnolence (general depressed activity) Lungs, Thorax, or Respiration - other changes Liver - other changes

REFERENCE :: KCRZAE Kauchuk i Rezina. Crude and Vulcanized Rubber. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.11- 1937- Volume(issue)/page/year: 26(9),28,1967

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

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 3210 mg/kg

TOXIC EFFECTS :: Behavioral - changes in motor activity (specific assay) Lungs, Thorax, or Respiration - other changes Liver - other changes

REFERENCE :: KCRZAE Kauchuk i Rezina. Crude and Vulcanized Rubber. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.11- 1937- Volume(issue)/page/year: 26(9),28,1967

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

ROUTE OF EXPOSURE :: Administration onto the skin

SPECIES OBSERVED :: Rodent - rabbit

DOSE/DURATION :: 1880 mg/kg

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

REFERENCE :: NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: OTS0527972 ** OTHER MULTIPLE DOSE TOXICITY DATA **

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Subcutaneous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 894 mg/kg/31W-I

TOXIC EFFECTS :: Skin and Appendages - hair

REFERENCE :: NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: OTS0527972 ** TUMORIGENIC DATA **

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Administration onto the skin

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 5280 mg/kg/12W-I

TOXIC EFFECTS :: Tumorigenic - equivocal tumorigenic agent by RTECS criteria Skin and Appendages - tumors

REFERENCE :: CNREA8 Cancer Research. (Public Ledger Building, Suit 816, 6th & Chestnut Sts., Philadelphia, PA 19106) V.1- 1941- Volume(issue)/page/year: 19,413,1959 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X1842 No. of Facilities: 516 (estimated) No. of Industries: 6 No. of Occupations: 12 No. of Employees: 15351 (estimated) No. of Female Employees: 736 (estimated)

Safety Information

[ Symbol ]:

GHS02, GHS07

[ Signal Word ]:
Danger

[ Hazard Statements ]:
H225-H319-H336

[ Supplemental HS ]:
Repeated exposure may cause skin dryness or cracking.

[ Precautionary Statements ]:
P210-P261-P305 + P351 + P338

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

[ Hazard Codes ]:
Xn:Harmful;

[ Risk Phrases ]:
R21;R38;R41

[ Safety Phrases ]:
S26-S36

[ RIDADR ]:
2430

[ WGK Germany ]:
2

[ RTECS ]:
SM9625000

[ Packaging Group ]:
III

[ Hazard Class ]:
8

[ HS Code ]:
29071300

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

2,4,4-Trimethylpent-1-ene
Phenol
2-Pentanol,2,4,4-trimethyl-
Benzene,1-methoxy-4-(1,1,3,3-tetramethylbutyl)-
2,2,4-trimethyl-3-pentene
2-chloro-2,4,4-trimethylpentane
1-nitro-4-(1,1,3,3-tetramethyl-butyl)-benzene
Sodium benzenolate
benzene

DownStream

2-Benzyl-4-(1,1,3,3-tetramethyl-butyl)-phenol
1-phenylmethoxy-4-(2,4,4-trimethylpentan-2-yl)benzene
4-tert-Butylphenol
2,4-Di-t-butylphenol
Phenol
4-Hydroxybenzoic acid
phosphorous acid,4-(2,4,4-trimethylpentan-2-yl)phenol
2-[[2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]methyl]-4-(2,4,4-trimethylpentan-2-yl)phenol
2-(4-(1,1,3,3-Tetramethylbutyl)phenoxy)ethanol
calix[5]arene

Customs

[ HS Code ]: 2907139000

[ Summary ]:
2907139000 3-octylphenol。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。Lowest tariff:5.5%。General tariff:30.0%

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