4-tert-Amylphenol

Modify Date: 2026-06-30 13:41:26

4-tert-Amylphenol structure	Common Name	4-tert-Amylphenol
	CAS Number	80-46-6	Molecular Weight	164.244
	Density	1.0±0.1 g/cm3	Boiling Point	262.5±0.0 °C at 760 mmHg
	Molecular Formula	C₁₁H₁₆O	Melting Point	88-89 °C(lit.)
	MSDS	Chinese USA	Flash Point	122.4±8.2 °C
	Symbol	GHS05, GHS07, GHS09	Signal Word	Danger

This table lists Chinese names, IUPAC names and various aliases of this chemical substance.

Name	4-tert-Amylphenol
Synonym	More Synonyms

This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.

Density	1.0±0.1 g/cm3
Boiling Point	262.5±0.0 °C at 760 mmHg
Melting Point	88-89 °C(lit.)
Molecular Formula	C₁₁H₁₆O
Molecular Weight	164.244
Flash Point	122.4±8.2 °C
Exact Mass	164.120117
PSA	20.23000
LogP	3.70
Vapour Pressure	0.0±0.5 mmHg at 25°C
Index of Refraction	1.510
InChIKey	NRZWYNLTFLDQQX-UHFFFAOYSA-N
SMILES	CCC(C)(C)c1ccc(O)cc1
Stability	Stable. Incompatible with acid chlorides, acid anhydrides, strong oxidizing agents.
Water Solubility	37 mg/L (20 ºC)

This table provides MSDS information including hazard classification, first‑aid, fire‑fighting, spill handling, operation and storage instructions.

4-tert-Amylphenol MSDS(Chinese)

This table summarizes toxicological test data, acute & chronic toxicity and ecological hazard parameters for this chemical.

CHEMICAL IDENTIFICATION

RTECS NUMBER :: SM6825000

CHEMICAL NAME :: Phenol, p-(tert-pentyl)-

CAS REGISTRY NUMBER :: 80-46-6

BEILSTEIN REFERENCE NO. :: 1908224

LAST UPDATED :: 199710

DATA ITEMS CITED :: 11

MOLECULAR FORMULA :: C11-H16-O

MOLECULAR WEIGHT :: 164.27

WISWESSER LINE NOTATION :: QR D1X1&1&1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: Open irritation test

ROUTE OF EXPOSURE :: Administration onto the skin

SPECIES OBSERVED :: Rodent - rabbit

REFERENCE :: AIHAAP American Industrial Hygiene Association Journal. (AIHA, 475 Wolf Ledges Pkwy., Akron, OH 44311) V.19- 1958- Volume(issue)/page/year: 23,95,1962

TYPE OF TEST :: Standard Draize test

ROUTE OF EXPOSURE :: Administration into the eye

SPECIES OBSERVED :: Rodent - rabbit

REFERENCE :: UCDS** Union Carbide Data Sheet. (Union Carbide Corp., 39 Old Ridgebury Rd., Danbury, CT 06817) Volume(issue)/page/year: 8/13/1964

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 :: 1830 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

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

ROUTE OF EXPOSURE :: Administration onto the skin

SPECIES OBSERVED :: Rodent - rabbit

DOSE/DURATION :: 2 gm/kg

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

REFERENCE :: UCDS** Union Carbide Data Sheet. (Union Carbide Corp., 39 Old Ridgebury Rd., Danbury, CT 06817) Volume(issue)/page/year: 8/13/1964 *** U.S. STANDARDS AND REGULATIONS *** EPA FIFRA 1988 PESTICIDE SUBJECT TO REGISTRATION OR RE-REGISTRATION FEREAC Federal Register. (U.S. Government Printing Office, Supt. of Documents, Washington, DC 20402) V.1- 1936- Volume(issue)/page/year: 54,7740,1989 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - 81455 No. of Facilities: 4030 (estimated) No. of Industries: 23 No. of Occupations: 28 No. of Employees: 142646 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - 81455 No. of Facilities: 3030 (estimated) No. of Industries: 11 No. of Occupations: 47 No. of Employees: 233571 (estimated) No. of Female Employees: 182550 (estimated)

This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.

Symbol	GHS05, GHS07, GHS09
Signal Word	Danger
Hazard Statements	H302 + H312-H314-H317-H410
Precautionary Statements	P273-P280-P303 + P361 + P353-P304 + P340 + P310-P305 + P351 + P338-P501
Personal Protective Equipment	Eyeshields;Faceshields;full-face particle respirator type N100 (US);Gloves;respirator cartridge type N100 (US);type P1 (EN143) respirator filter;type P3 (EN 143) respirator cartridges
Hazard Codes	C:Corrosive;N:Dangerousfortheenvironment;
Risk Phrases	R21/22;R34;R51/53
Safety Phrases	S26-S27-S36/37/39-S45-S61
RIDADR	UN 2430 8/PG 2
WGK Germany	2
RTECS	SM6825000
Packaging Group	III
Hazard Class	8
HS Code	2907199090

This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.

This table lists upstream starting materials and downstream derivative products related to this chemical.

Precursor 9
CAS#:513-35-9 2-Methylbut-2-ene CAS#:108-95-2 Phenol CAS#:75-85-4 tert-Amyl Alcohol CAS#:115-11-7 Isobutylene
CAS#:563-46-2 2-Methylbut-2-ene CAS#:86840-38-2 1-(2-methylbuta... CAS#:594-36-5 2-CHLORO-2-METH... CAS#:100-67-4 POTASSIUMPHENOLATE
CAS#:120-95-6 2,4-Di-tert-pen...
DownStream 10
CAS#:3279-27-4 2-tert-Amylphenol CAS#:595-37-9 2,2-Dimethylbut... CAS#:34906-87-1 4,4-Dimethyl-2-... CAS#:20698-30-0 trans-4-tert-pe...
CAS#:20698-29-7 cis-4-tert-pent... CAS#:18966-64-8 2-bromo-4-(2-me... CAS#:2050-03-5 Benzene, 1- (1,... CAS#:2525-07-7 4-(2-methylbuta...
CAS#:5349-51-9 4-tert-amylcycl... CAS#:859059-71-5 1-(2-hydroxy-5-...

This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.

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%

This table lists relevant public references with title, journal and publication metadata for this compound.

Convenient QSAR model for predicting the complexation of structurally diverse compounds with β-cyclodextrins

Bioorg. Med. Chem. 17 , 896-904, (2009)

This paper reports a QSAR study for predicting the complexation of a large and heterogeneous variety of substances (233 organic compounds) with beta-cyclodextrins (beta-CDs). Several different theoret...

Screening estrogenic activities of chemicals or mixtures in vivo using transgenic (cyp19a1b-GFP) zebrafish embryos.

PLoS ONE 7 , e36069, (2012)

The tg(cyp19a1b-GFP) transgenic zebrafish expresses GFP (green fluorescent protein) under the control of the cyp19a1b gene, encoding brain aromatase. This gene has two major characteristics: (i) it is...

Impact of induced fit on ligand binding to the androgen receptor: a multidimensional QSAR study to predict endocrine-disrupting effects of environmental chemicals.

J. Med. Chem. 48 , 5666-74, (2005)

We investigated the influence of induced fit of the androgen receptor binding pocket on free energies of ligand binding. On the basis of a novel alignment procedure using flexible docking, molecular d...

This table contains target information, in‑vitro & in‑vivo assay data for this compound.

Name: Luminescence-based cell-based primary high throughput screening assay to identify ago...
Source: The Scripps Research Institute Molecular Screening Center
Target: mu-type opioid receptor isoform MOR-1 [Homo sapiens]
External Id: OPRM1-OPRD1_AG_LUMI_1536_1X%ACT PRUN

Name: Primary qHTS assay for inhibitors of alpha-synuclein gene (SNCA) expression
Source: NCGC
External Id: SNCA-p-activity-luciferase

Name: Fluorescence-based cell-based primary high throughput screening assay to identify ago...
Source: The Scripps Research Institute Molecular Screening Center
Target: muscarinic acetylcholine receptor M1 [Homo sapiens]
External Id: CHRM1_AG_FLUO8_1536_1X%ACT PRUN

Name: Cytochrome P450 Family 1 Subfamily A Member 2 (CYP1A2) small molecule antagonists: lu...
Source: 824
External Id: CYP273

Name: Primary Screen Inhibitors of CD40 Signaling in BL2 Cells Measured in Cell-Based Syste...
Source: Broad Institute
Target: N/A
External Id: 7124-01_Inhibitor_SinglePoint_HTS_Activity

Name: Fluorescence-based cell-based primary high throughput screening assay to identify pos...
Source: The Scripps Research Institute Molecular Screening Center
Target: muscarinic acetylcholine receptor M1 [Homo sapiens]
External Id: CHRM1_PAM_FLUO8_1536_1X%ACT PRUN

Name: Fluorescence polarization-based biochemical high throughput primary assay to identify...
Source: The Scripps Research Institute Molecular Screening Center
Target: RecName: Full=Sialate O-acetylesterase; AltName: Full=H-Lse; AltName: Full=Sialic acid-specific 9-O-acetylesterase; Flags: Precursor [Homo sapiens]
External Id: SIAE_INH_FP_1536_1X%INH PRUN

Name: p53 small molecule agonists, cell-based qHTS assay: qHTS cell viability counter scree...
Source: 824
Target: N/A
External Id: P53600

Name: p53 small molecule agonists, cell-based qHTS assay with rat liver microsomes: qHTS ce...
Source: 824
Target: N/A
External Id: P53MS958

Name: p53 small molecule agonists, cell-based qHTS assay with rat liver microsomes: Summary
Source: 824
External Id: P53MS482

Total 380, Current Page 1 of 38

This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.

4-(2-Methyl-2-butanyl)phenol

4-tert-Amylphenol

EINECS 201-280-9

4-(1,1-Dimethylpropyl)phenol

4-tert-Pentylphenol

QR DX2&1&1

p-(1,1-Dimethylpropyl)phenol

MFCD00002369

p-(tert-Amyl)phenol

p-(α,α-Dimethylpropyl)phenol

4-(2-Methylbutan-2-yl)phenol

This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.

Q: What is the polar surface area (PSA) of 4-tert-Amylphenol?

A: Polar surface area (PSA) of 4-tert-Amylphenol is 20.23000.

Q: What are the downstream products of 4-tert-Amylphenol?

A: Related downstream products(CAS) of 4-tert-Amylphenol: 3279-27-4;595-37-9;34906-87-1;20698-30-0;20698-29-7;18966-64-8;2050-03-5;2525-07-7;5349-51-9;859059-71-5.

Q: What is the melting point of 4-tert-Amylphenol?

A: Melting point of 4-tert-Amylphenol is 88-89 °C(lit.).

Q: What is the InChIKey of 4-tert-Amylphenol?

A: InChIKey of 4-tert-Amylphenol is NRZWYNLTFLDQQX-UHFFFAOYSA-N.

Q: What is the SMILES notation of 4-tert-Amylphenol?

A: SMILES notation of 4-tert-Amylphenol is CCC(C)(C)c1ccc(O)cc1.

Q: What is the safety information for 4-tert-Amylphenol?

A: Safety information for 4-tert-Amylphenol: S26-S27-S36/37/39-S45-S61.

Q: What is the LogP of 4-tert-Amylphenol?

A: LogP of 4-tert-Amylphenol is 3.70.

Q: What is the boiling point of 4-tert-Amylphenol?

A: Boiling point of 4-tert-Amylphenol is 262.5±0.0 °C at 760 mmHg.

Q: What is the English name of 4-tert-Amylphenol?

A: The English name of 4-tert-Amylphenol is 4-tert-Amylphenol.

Q: What are the upstream materials of 4-tert-Amylphenol?

A: Related upstream materials(CAS) of 4-tert-Amylphenol: 513-35-9;108-95-2;75-85-4;115-11-7;563-46-2;86840-38-2;594-36-5;100-67-4;120-95-6.

This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.

Shanghai Nianxing Industrial Co., Ltd

Dayang Chem (Hangzhou) Co., Ltd.

Henan Tianfu Chemical Co., Ltd.

The content on this webpage is sourced from various professional data sources. If you have any questions or concerns regarding the content, please feel free to contact service1@chemsrc.com.

Shanghai Nianxing Industrial Co., Ltd
China
Product Name: 4-tert-Amylphenol
Price: Check
Purity: 99.0%
Delivery: 10 Day
Contact: Yang
Email: sales@echemcloud.com

Dayang Chem (Hangzhou) Co., Ltd.
China
Product Name: 4-tert-Amylphenol
Price: $Inquiry/100g $Inquiry/1kg $Inquiry/100kg $Inquiry/1000kg
Purity: 98.0%
Delivery: Inquiry
Contact: Ms Wang
Email: enquiry@dycnchem.com

Henan Tianfu Chemical Co., Ltd.
China
Product Name: 4-tert-Amylphenol 80-46-6
Price: $Inquiry/1kg $Inquiry/25kg $Inquiry/1000kg $Inquiry/10ton
Purity: 99.0%
Delivery: Inquiry
Contact: Anson
Email: info@tianfuchem.com

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4-tert-Amylphenol

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MSDS

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HEALTH HAZARD DATA

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4-tert-AmylphenolBioassay

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4-tert-Amylphenol | FAQ

4-tert-Amylphenolfactory

The content on this webpage is sourced from various professional data sources. If you have any questions or concerns regarding the content, please feel free to contact service1@chemsrc.com.