CAS 140-66-9|4-tert-Octylphenol

Introduction：Basic information about CAS 140-66-9|4-tert-Octylphenol, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.

Table of Contents

1. Names
2. 4-tert-Octylphenol BiologicalActivity
3. Chemical & Physical Properties
4. Toxicological Information
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
5. Safety Information
6. Customs
7. Articles48
8. Synonyms

Common Name	4-tert-Octylphenol
CAS Number	140-66-9	Molecular Weight	206.324
Density	0.9±0.1 g/cm3	Boiling Point	282.3±0.0 °C at 760 mmHg
Molecular Formula	C₁₄H₂₂O	Melting Point	79-82 °C(lit.)
MSDS	ChineseUSA	Flash Point	148.3±8.2 °C
Symbol	GHS02, GHS07	Signal Word	Danger

Names

Name	4-tert-Octylphenol
Synonym	More Synonyms

4-tert-Octylphenol BiologicalActivity

Description	4-tert-Octylphenol, a endocrine-disrupting chemical, is an estrogenic drug. 4-tert-Octylphenol induces apoptosis in neuronal progenitor cells in offspring mouse brain. 4-tert-Octylphenol reduces bromodeoxyuridine (BrdU), mitotic marker Ki67, and phospho-histone H3 (p-Histone-H3), resulting in a reduction of neuronal progenitor proliferation. 4-tert-Octylphenol disrupts brain development and behavior in mice[1].
Related Catalog	Signaling Pathways >>Apoptosis >>ApoptosisResearch Areas >>EndocrinologyResearch Areas >>Neurological Disease
Target	Human Endogenous Metabolite
References	[1]. Dinh Nam Tran, et al. 4-tert-Octylphenol Exposure Disrupts Brain Development and Subsequent Motor, Cognition, Social, and Behavioral Functions. Oxidative Medicine and Cellular Longevity, 2020.

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
InChIKey	ISAVYTVYFVQUDY-UHFFFAOYSA-N
SMILES	CC(C)(C)CC(C)(C)c1ccc(O)cc1
Storage condition	Refrigerator
Stability	Stable. Incompatible with strong oxidizing agents, strong bases.

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

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%

Articles48

Effects of Endocrine Disruptor Compounds, Alone or in Combination, on Human Macrophage-Like THP-1 Cell Response.

PLoS ONE 10 , e0131428, (2015)

The aim of the present study was to evaluate the immunological effects on human macrophages of four endocrine disruptor compounds (EDCs) using the differentiated human THP-1 cell line as a model. We s...

Liquid chromatographic-tandem mass spectrometric method for the simultaneous determination of alkylphenols polyethoxylates, alkylphenoxy carboxylates and alkylphenols in wastewater and surface-water.

J. Chromatogr. A. 1362 , 75-88, (2014)

Four different pellicular stationary phases (i.e. octadecylsilane, octasilane, Phenyl-Hexyl and pentafluorophenyl) were investigated for the chromatographic resolution of alkylphenols (APs), alkylphen...

Occurrence and spatial distribution of EDCs and related compounds in waters and sediments of Iberian rivers.

Sci. Total Environ. 503-504 , 69-86, (2015)

The environmental presence of chemicals capable of affecting the endocrine system has become a matter of scientific and public concern after certain endocrine disruptor compounds (EDCs) have been dete...

Synonyms

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）

Recommended......