tert-Butyl Hydroperoxide

Modify Date: 2026-07-13 00:15:51

tert-Butyl Hydroperoxide structure	Common Name	tert-Butyl Hydroperoxide
	CAS Number	75-91-2	Molecular Weight	90.121
	Density	0.9±0.1 g/cm3	Boiling Point	120.4±9.0 °C at 760 mmHg
	Molecular Formula	C₄H₁₀O₂	Melting Point	-2.8 °C
	MSDS	Chinese USA	Flash Point	35.0±0.0 °C
	Symbol	GHS02, GHS05, GHS06, GHS08, GHS09	Signal Word	Danger

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

Name	tert-butyl hydroperoxide
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	0.9±0.1 g/cm3
Boiling Point	120.4±9.0 °C at 760 mmHg
Melting Point	-2.8 °C
Molecular Formula	C₄H₁₀O₂
Molecular Weight	90.121
Flash Point	35.0±0.0 °C
Exact Mass	90.068077
PSA	29.46000
LogP	1.38
Vapour Pressure	7.4±0.5 mmHg at 25°C
Index of Refraction	1.399
InChIKey	CIHOLLKRGTVIJN-UHFFFAOYSA-N
SMILES	CC(C)(C)OO
Stability	Stable, but may explode if heated under confinement. Decomposition may be accelerated by traces of metals, molecular sieve or other contaminants. Incompatible with reducing agents, combustible material, acids.
Water Solubility	Miscible

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

tert-Butyl Hydroperoxide MSDS(Chinese)

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

CHEMICAL IDENTIFICATION

RTECS NUMBER :: EQ4900000

CHEMICAL NAME :: tert-Butylhydroperoxide

CAS REGISTRY NUMBER :: 75-91-2

BEILSTEIN REFERENCE NO. :: 1098280

LAST UPDATED :: 199806

DATA ITEMS CITED :: 38

MOLECULAR FORMULA :: C4-H10-O2

MOLECULAR WEIGHT :: 90.14

WISWESSER LINE NOTATION :: QOX1&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

TYPE OF TEST :: Standard Draize test

ROUTE OF EXPOSURE :: Administration onto the skin

SPECIES OBSERVED :: Rodent - rabbit

TYPE OF TEST :: Standard Draize test

ROUTE OF EXPOSURE :: Administration into the eye

SPECIES OBSERVED :: Rodent - rabbit

TYPE OF TEST :: Standard Draize test

ROUTE OF EXPOSURE :: Administration into the eye

SPECIES OBSERVED :: Rodent - rabbit

TYPE OF TEST :: Rinsed with water

ROUTE OF EXPOSURE :: Administration into the eye

SPECIES OBSERVED :: Rodent - rabbit

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

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 370 mg/kg

TOXIC EFFECTS :: Behavioral - irritability Gastrointestinal - alteration in gastric secretion Blood - hemorrhage

TYPE OF TEST :: LC50 - Lethal concentration, 50 percent kill

ROUTE OF EXPOSURE :: Inhalation

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 500 ppm/4H

TOXIC EFFECTS :: Lungs, Thorax, or Respiration - dyspnea

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

ROUTE OF EXPOSURE :: Administration onto the skin

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 790 mg/kg

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

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

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 87 mg/kg

TOXIC EFFECTS :: Behavioral - muscle weakness Behavioral - ataxia

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

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 320 mg/kg

TOXIC EFFECTS :: Behavioral - irritability Gastrointestinal - alteration in gastric secretion Blood - hemorrhage

TYPE OF TEST :: LC50 - Lethal concentration, 50 percent kill

ROUTE OF EXPOSURE :: Inhalation

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 350 ppm/4H

TOXIC EFFECTS :: Lungs, Thorax, or Respiration - dyspnea

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

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 246 mg/kg

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

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

ROUTE OF EXPOSURE :: Administration onto the skin

SPECIES OBSERVED :: Rodent - rabbit

DOSE/DURATION :: 460 uL/kg

TOXIC EFFECTS :: Lungs, Thorax, or Respiration - cyanosis Liver - other changes Kidney, Ureter, Bladder - other changes in urine composition

TYPE OF TEST :: TCLo - Lowest published toxic concentration

ROUTE OF EXPOSURE :: Inhalation

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 107 mg/m3/17W-I

TOXIC EFFECTS :: Sense Organs and Special Senses (Olfaction) - change in sensation of smell Kidney, Ureter, Bladder - other changes in urine composition Nutritional and Gross Metabolic - changes in chlorine

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 365 mg/kg/7W-I

TOXIC EFFECTS :: Related to Chronic Data - death

TYPE OF TEST :: TCLo - Lowest published toxic concentration

ROUTE OF EXPOSURE :: Inhalation

SPECIES OBSERVED :: Rodent - guinea pig

DOSE/DURATION :: 107 mg/m3/17W-I

TOXIC EFFECTS :: Blood - changes in erythrocyte (RBC) count Nutritional and Gross Metabolic - weight loss or decreased weight gain

TYPE OF TEST :: Sex chromosome loss and nondisjunction

TYPE OF TEST :: Sex chromosome loss and nondisjunction

TYPE OF TEST :: Cytogenetic analysis

TYPE OF TEST :: Cytogenetic analysis

TYPE OF TEST :: Dominant lethal test

MUTATION DATA

TYPE OF TEST :: Sex chromosome loss and nondisjunction

TEST SYSTEM :: Rodent - hamster Lung

DOSE/DURATION :: 34 umol/L

REFERENCE :: MUREAV Mutation Research. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1964- Volume(issue)/page/year: 182,135,1987 *** OCCUPATIONAL EXPOSURE LIMITS *** OEL-GERMANY JAN 1993 OEL-RUSSIA:STEL 5 mg/m3;Skin JAN 1993 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - 14730 No. of Facilities: 75 (estimated) No. of Industries: 2 No. of Occupations: 3 No. of Employees: 433 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - 14730 No. of Facilities: 266 (estimated) No. of Industries: 8 No. of Occupations: 14 No. of Employees: 12168 (estimated) No. of Female Employees: 4787 (estimated)

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

Symbol	GHS02, GHS05, GHS06, GHS08, GHS09
Signal Word	Danger
Hazard Statements	H226-H242-H302-H304-H311 + H331-H314-H317-H336-H341-H410
Precautionary Statements	P210-P234-P280-P301 + P310-P303 + P361 + P353-P304 + P340 + P310-P305 + P351 + P338-P331-P403 + P233
Personal Protective Equipment	Faceshields;full-face respirator (US);Gloves;Goggles;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter
Hazard Codes	C:Corrosive
Risk Phrases	R10;R20/21/22;R34;R43;R52/53;R7
Safety Phrases	S14-S3/7-S61-S45-S36/37/39-S24-S17-S16-S14A-S26-S62
RIDADR	UN 3109 5.2
WGK Germany	3
RTECS	EQ4900000
Packaging Group	II
Hazard Class	5.2

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#:187939-68-0 1-tert-butylper... CAS#:75-28-5 Isobutane Resid... CAS#:75-34-3 Ethane, 1,1-dichloro CAS#:67-97-0 Vitamin D3
CAS#:677-22-5 TERT-BUTYLMAGNE... CAS#:50-81-7 Ascorbic acid CAS#:3459-80-1 Benzyln-butylether CAS#:75-65-0 tert-Butanol
CAS#:3395-62-8 tert-butyl hydr...
DownStream 10
CAS#:109-13-7 tert-Butyl pero... CAS#:100-52-7 Benzaldehyde CAS#:67-64-1 Acetone CAS#:79-31-2 Isobutyric acid
CAS#:100-51-6 Benzyl alcohol CAS#:75-65-0 tert-Butanol CAS#:1421259-27-9 N-methyl-N-((1-... CAS#:105804-97-5 (N-methylanilin...
CAS#:52866-87-2 N-(tert-butylpe... CAS#:98-51-1 tbt

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

bFGF attenuates endoplasmic reticulum stress and mitochondrial injury on myocardial ischaemia/reperfusion via activation of PI3K/Akt/ERK1/2 pathway.

J. Cell. Mol. Med. 19(3) , 595-607, (2015)

Extensive research focused on finding effective strategies to prevent or improve recovery from myocardial ischaemia/reperfusion (I/R) injury. Basic fibroblast growth factor (bFGF) has been shown to ha...

Synthesis of PS/PO-chimeric oligonucleotides using mixed oxathiaphospholane and phosphoramidite chemistry.

Org. Biomol. Chem. 13(1) , 269-76, (2014)

Chimeric oligonucleotides containing phosphodiester and phosphorothioate linkages have been obtained using the solid phase synthesis. The oligonucleotide parts possessing natural internucleotide phosp...

Biocompatibility evaluation of porous ceria foams for orthopedic tissue engineering.

J. Biomed. Mater. Res. A 103(1) , 8-15, (2014)

Ceria ceramics have the unique ability to protect cells from free radical-induced damage, making them materials of interest for biomedical applications. To expand upon the understanding of the potenti...

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

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

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

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 human liver microsomes: qHTS ...
Source: 824
Target: N/A
External Id: P53MS837

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

Name: qHTS Assay for Small Molecule Inhibitors of the Human hERG Channel Activity
Source: NCGC
External Id: HERG01

Name: Cytotoxicity against human SH-SY5Y cells assessed as cell viability at 300 uM by MTT ...
Source: ChEMBL
Target: SH-SY5Y
External Id: CHEMBL1937470

Total 228, Current Page 1 of 23

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

2-hydroperoxy-2-methylpropane

MFCD00002130

EINECS 200-915-7

tert-Butyl hydroperoxide

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

Q: What English synonyms does tert-butyl hydroperoxide have?

A: English synonyms of tert-butyl hydroperoxide: 2-hydroperoxy-2-methylpropane, MFCD00002130, EINECS 200-915-7, tert-Butyl hydroperoxide.

Q: What is the InChIKey of tert-butyl hydroperoxide?

A: InChIKey of tert-butyl hydroperoxide is CIHOLLKRGTVIJN-UHFFFAOYSA-N.

Q: What is the molecular formula of tert-butyl hydroperoxide?

A: Molecular formula of tert-butyl hydroperoxide is C4H10O2.

Q: What are the upstream materials of tert-butyl hydroperoxide?

A: Related upstream materials(CAS) of tert-butyl hydroperoxide: 187939-68-0;75-28-5;75-34-3;67-97-0;677-22-5;50-81-7;3459-80-1;75-65-0;3395-62-8.

Q: What are the downstream products of tert-butyl hydroperoxide?

A: Related downstream products(CAS) of tert-butyl hydroperoxide: 109-13-7;100-52-7;67-64-1;79-31-2;100-51-6;75-65-0;1421259-27-9;105804-97-5;52866-87-2;98-51-1.

Q: What is the CAS number of tert-butyl hydroperoxide?

A: CAS number of tert-butyl hydroperoxide is 75-91-2.

Q: What is the LogP of tert-butyl hydroperoxide?

A: LogP of tert-butyl hydroperoxide is 1.38.

Q: What is the English name of tert-butyl hydroperoxide?

A: The English name of tert-butyl hydroperoxide is tert-butyl hydroperoxide.

Q: What is the SMILES notation of tert-butyl hydroperoxide?

A: SMILES notation of tert-butyl hydroperoxide is CC(C)(C)OO.

Q: What is the melting point of tert-butyl hydroperoxide?

A: Melting point of tert-butyl hydroperoxide is -2.8 °C.

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: tert-Butyl Hydroperoxide
Price: Check
Purity: 98.0%
Delivery: 10 Day
Contact: Yang
Email: sales@echemcloud.com

Dayang Chem (Hangzhou) Co., Ltd.
China
Product Name: tert-Butyl hydroperoxide
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: tert-Butyl hydroperoxide
Price: $Inquiry/1kg $Inquiry/25kg $Inquiry/1000kg $Inquiry/10ton
Purity: 99.0%
Delivery: Inquiry
Contact: Anson
Email: info@tianfuchem.com

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tert-Butyl Hydroperoxide

Names

Chemical & Physical Properties

MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

MUTATION DATA

Safety Information

Synthetic Route

Precursor & DownStream

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tert-Butyl HydroperoxideBioassay

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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.