2,4-Di-tert-pentylphenol

Modify Date: 2026-07-01 18:33:09

2,4-Di-tert-pentylphenol Structure
2,4-Di-tert-pentylphenol structure
Common Name 2,4-Di-tert-pentylphenol
CAS Number 120-95-6 Molecular Weight 234.377
Density 0.9±0.1 g/cm3 Boiling Point 285.1±0.0 °C at 760 mmHg
Molecular Formula C16H26O Melting Point 25 °C(lit.)
MSDS Chinese USA Flash Point 139.9±7.8 °C
Symbol GHS07
GHS07
Signal Word Warning

Summary: 2,4-Di-tert-pentylphenol, Chinese name: 2,4-二叔戊基苯酚, CAS number: 120-95-6, molecular formula: C16H26O, molecular weight: 234.377. Appearance: transparent to pale yellow semi-solid, melting point: 25°C, boiling point: 285.1°C, density: 0.9g/cm3. For research-use only, not for medical or clinical usage.


 Names

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

Name 2,4-Di-tert-pentylphenol
Synonym More Synonyms

 Chemical & Physical Properties

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

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
InChIKey WMVJWKURWRGJCI-UHFFFAOYSA-N
SMILES CCC(C)(C)C1=CC(=C(C=C1)O)C(C)(C)CC

 MSDS

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

Name: 2 4-Di-Tert-Pentylphenol 96% (GC) Material Safety Data Sheet
Synonym: Di-Tert-Amylphenol; 2,4-Di-Tert-Amylphenol
CAS: 120-95-6
Section 1 - Chemical Product MSDS Name:2 4-Di-Tert-Pentylphenol 96% (GC) Material Safety Data Sheet
Synonym:Di-Tert-Amylphenol; 2,4-Di-Tert-Amylphenol

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
120-95-6 Phenol, 2,4-Bis(1,1-Dimethylpropyl)- 96 204-439-0
Hazard Symbols: XN
Risk Phrases: 22 36/38

Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Harmful if swallowed. Irritating to eyes and skin.
Potential Health Effects
Eye:
Causes eye irritation. May cause chemical conjunctivitis.
Skin:
Causes skin irritation.
Ingestion:
Harmful if swallowed. May cause gastrointestinal irritation with nausea, vomiting and diarrhea.
Inhalation:
Causes respiratory tract irritation.
Chronic:
Effects may be delayed.

Section 4 - FIRST AID MEASURES
Eyes: Immediately flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid.
Skin:
Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Wash clothing before reuse.
Ingestion:
Never give anything by mouth to an unconscious person. Get medical aid. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or water.
Inhalation:
Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid. Do NOT use mouth-to-mouth resuscitation.
Notes to Physician:
Treat symptomatically and supportively.

Section 5 - FIRE FIGHTING MEASURES
General Information:
As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion. Use water spray to keep fire-exposed containers cool. Water may be ineffective.
Material is lighter than water and a fire may be spread by the use of water. Vapors may be heavier than air. They can spread along the ground and collect in low or confined areas. Containers may explode when heated.
Extinguishing Media:
Water may be ineffective. Cool containers with flooding quantities of water until well after fire is out. Use water spray, dry chemical, carbon dioxide, or appropriate foam.

Section 6 - ACCIDENTAL RELEASE MEASURES
General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Vacuum or sweep up material and place into a suitable disposal container. Avoid runoff into storm sewers and ditches which lead to waterways. Clean up spills immediately, observing precautions in the Protective Equipment section. Remove all sources of ignition.
Provide ventilation.

Section 7 - HANDLING and STORAGE
Handling:
Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Use with adequate ventilation. Minimize dust generation and accumulation. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation.
Storage:
Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.

Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
Engineering Controls:
Facilities storing or utilizing this material should be equipped with an eyewash facility and a safety shower. Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 120-95-6: Personal Protective Equipment Eyes: Wear appropriate protective eyeglasses or chemical safety goggles as described by OSHA's eye and face protection regulations in 29 CFR 1910.133 or European Standard EN166.
Skin:
Wear appropriate protective gloves to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to prevent skin exposure.
Respirators:
A respiratory protection program that meets OSHA's 29 CFR 1910.134 and ANSI Z88.2 requirements or European Standard EN 149 must be followed whenever workplace conditions warrant respirator use.

Section 9 - PHYSICAL AND CHEMICAL PROPERTIES

Physical State: Solid
Color: yellow
Odor: phenol-like
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 25 deg C
Autoignition Temperature: Not available.
Flash Point: 143 deg C ( 289.40 deg F)
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density: .9300g/cm3
Molecular Formula: C16H26O
Molecular Weight: 234.38

Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable at room temperature in closed containers under normal storage and handling conditions.
Conditions to Avoid:
Incompatible materials, dust generation, excess heat, strong oxidants.
Incompatibilities with Other Materials:
Oxidizing agents.
Hazardous Decomposition Products:
Carbon monoxide, irritating and toxic fumes and gases, carbon dioxide.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 120-95-6: SL3500000 LD50/LC50:
CAS# 120-95-6: Draize test, rabbit, eye: 100 mg Moderate; Oral, rat: LD50 = 330 mg/kg.
Carcinogenicity:
Phenol, 2,4-Bis(1,1-Dimethylpropyl)- - Not listed by ACGIH, IARC, or NTP.
Other:
See actual entry in RTECS for complete information.

Section 12 - ECOLOGICAL INFORMATION


Section 13 - DISPOSAL CONSIDERATIONS
Dispose of in a manner consistent with federal, state, and local regulations.

Section 14 - TRANSPORT INFORMATION

IATA
Not regulated as a hazardous material.
IMO
Not regulated as a hazardous material.
RID/ADR
Not regulated as a hazardous material.

Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: XN
Risk Phrases:
R 22 Harmful if swallowed.
R 36/38 Irritating to eyes and skin.
Safety Phrases:
S 26 In case of contact with eyes, rinse immediately
with plenty of water and seek medical advice.
S 28A After contact with skin, wash immediately with
plenty of water.
S 37 Wear suitable gloves.
S 37/39 Wear suitable gloves and eye/face
protection.
S 45 In case of accident or if you feel unwell, seek
medical advice immediately (show the label where
possible).
WGK (Water Danger/Protection)
CAS# 120-95-6: No information available.
Canada
CAS# 120-95-6 is listed on Canada's DSL List.
CAS# 120-95-6 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 120-95-6 is listed on the TSCA inventory.


SECTION 16 - ADDITIONAL INFORMATION
N/A

 Toxicological Information

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

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

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

Symbol GHS07
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

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

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2,4-Di-tert-pentylphenol Structure

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CAS#:120-95-6

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Literature: Yutilov; Svertilova; Minkina; Shcherbina; Kirillova Russian Journal of Applied Chemistry, 2000 , vol. 73, # 12 p. 2106 - 2108

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2,4-Di-tert-pentylphenol Structure

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Literature: WO2011/14405 A1, ; Page/Page column 42 ;

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2,4-Di-tert-pentylphenol Structure

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Literature: US2267687 , ;

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2,4-Di-tert-pentylphenol Structure

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CAS#:120-95-6

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Literature: US2267687 , ;

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2,4-Di-tert-pentylphenol Structure

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CAS#:120-95-6

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Literature: US1972599 , ;

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2,4-Di-tert-pentylphenol Structure

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CAS#:120-95-6

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Literature: US2267687 , ;

 Customs

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%

 Articles4

More Articles

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

Thermochemistry of phenols: quantification of the< i> ortho-,< i> para</i>-, and< i> meta</i>-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)

 2,4-Di-tert-pentylphenolBioassay

View more

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

Name: p53 small molecule agonists, cell-based qHTS assay
Source: 824
External Id: P53344
Name: p53 small molecule agonists, cell-based qHTS assay with human liver microsomes
Source: 824
Target: tumor suppressor p53 [Homo sapiens]
External Id: P53MS233
Name: p53 small molecule agonists, cell-based qHTS assay with rat liver microsomes
Source: 824
Target: tumor suppressor p53 [Homo sapiens]
External Id: P53MS898
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 Synonyms

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

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
2,4-bis(1,1-dimethylpropyl)phenol

 2,4-Di-tert-pentylphenol | FAQ

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 2,4-Di-tert-pentylphenol?
A: Polar surface area (PSA) of 2,4-Di-tert-pentylphenol is 20.23000.
Q: What is the melting point of 2,4-Di-tert-pentylphenol?
A: Melting point of 2,4-Di-tert-pentylphenol is 25 °C(lit.).
Q: What is the English name of 2,4-Di-tert-pentylphenol?
A: The English name of 2,4-Di-tert-pentylphenol is 2,4-Di-tert-pentylphenol.
Q: What is the LogP of 2,4-Di-tert-pentylphenol?
A: LogP of 2,4-Di-tert-pentylphenol is 5.92.
Q: What is the SMILES notation of 2,4-Di-tert-pentylphenol?
A: SMILES notation of 2,4-Di-tert-pentylphenol is CCC(C)(C)C1=CC(=C(C=C1)O)C(C)(C)CC.
Q: What is the molecular formula of 2,4-Di-tert-pentylphenol?
A: Molecular formula of 2,4-Di-tert-pentylphenol is C16H26O.
Q: What is the molecular weight of 2,4-Di-tert-pentylphenol?
A: Molecular weight of 2,4-Di-tert-pentylphenol is 234.377.
Q: What is the CAS number of 2,4-Di-tert-pentylphenol?
A: CAS number of 2,4-Di-tert-pentylphenol is 120-95-6.
Q: What are the downstream products of 2,4-Di-tert-pentylphenol?
A: Related downstream products(CAS) of 2,4-Di-tert-pentylphenol: 50772-35-5;141031-59-6;80-46-6;51959-14-9;13402-96-5;13403-01-5;32180-75-9;64755-43-7;88-34-6;69080-71-3.
Q: What are the upstream materials of 2,4-Di-tert-pentylphenol?
A: Related upstream materials(CAS) of 2,4-Di-tert-pentylphenol: 313984-55-3;513-35-9;108-95-2;115-11-7;80-46-6;594-36-5.

 2,4-Di-tert-pentylphenolfactory

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.
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