4-tert-Butylcyclohexanone

Modify Date: 2026-07-01 11:52:08

4-tert-Butylcyclohexanone structure	Common Name	4-tert-Butylcyclohexanone
	CAS Number	98-53-3	Molecular Weight	154.249
	Density	0.9±0.1 g/cm3	Boiling Point	225.1±0.0 °C at 760 mmHg
	Molecular Formula	C₁₀H₁₈O	Melting Point	47-50 °C(lit.)
	MSDS	Chinese USA	Flash Point	96.1±0.0 °C
	Symbol	GHS07	Signal Word	Warning

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

Name	4-tert-Butylcyclohexanone
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	225.1±0.0 °C at 760 mmHg
Melting Point	47-50 °C(lit.)
Molecular Formula	C₁₀H₁₈O
Molecular Weight	154.249
Flash Point	96.1±0.0 °C
Exact Mass	154.135757
PSA	17.07000
LogP	2.48
Vapour Pressure	0.1±0.4 mmHg at 25°C
Index of Refraction	1.456
InChIKey	YKFKEYKJGVSEIX-UHFFFAOYSA-N
SMILES	CC(C)(C)C1CCC(=O)CC1

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

4-tert-Butylcyclohexanone MSDS(Chinese)

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

CHEMICAL IDENTIFICATION

RTECS NUMBER :: GW1140000

CHEMICAL NAME :: Cyclohexanone, p-tert-butyl-

CAS REGISTRY NUMBER :: 98-53-3

BEILSTEIN REFERENCE NO. :: 0507309

LAST UPDATED :: 199712

DATA ITEMS CITED :: 3

MOLECULAR FORMULA :: C10-H18-O

MOLECULAR WEIGHT :: 154.28

WISWESSER LINE NOTATION :: L6VTJ DX1&1&1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

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

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 5 gm/kg

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

REFERENCE :: FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 13,729,1975

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

ROUTE OF EXPOSURE :: Administration onto the skin

SPECIES OBSERVED :: Rodent - rabbit

DOSE/DURATION :: 5 gm/kg

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

REFERENCE :: FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 13,729,1975

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

Symbol	GHS07
Signal Word	Warning
Hazard Statements	H315-H319-H335
Precautionary Statements	P261-P305 + P351 + P338
Personal Protective Equipment	dust mask type N95 (US);Eyeshields;Gloves
Hazard Codes	Xi:Irritant;
Risk Phrases	R36/37/38
Safety Phrases	S26-S36
RIDADR	NONH for all modes of transport
WGK Germany	2
RTECS	GW1140000
HS Code	2914299000

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 8
CAS#:118817-77-9 9-(1,1-dimethyl... CAS#:98-52-2 4-(tert-Butyl)c... CAS#:65156-97-0 9-(1,1-dimethyl... CAS#:167489-85-2 (4-tert-butylcy...
CAS#:98-54-4 4-tert-Butylphenol CAS#:58911-63-0 4-tert-butylcyc... CAS#:13294-73-0 1-Methylene-4β-... CAS#:937-05-3 cis-4-tert-Buty...
DownStream 9
CAS#:1076-82-0 2-bromo-4-tert-... CAS#:1069-83-6 TETRAETHYLDIALU... CAS#:105669-73-6 1,1-dibromo-4-t... CAS#:3178-22-1 Cyclohexane,(1,...
CAS#:21862-63-5 trans-4-tert-Bu... CAS#:937-05-3 cis-4-tert-Buty... CAS#:1900-58-9 4-tert-butyl-1,... CAS#:1900-57-8 1-tert-butyl-4-...
CAS#:13294-73-0 1-Methylene-4β-...

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

HS Code	2914299000
Summary	2914299000. other cyclanic, cyclenic or cyclotherpenic ketones without other oxygen function. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:5.5%. General tariff:30.0%

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

On the synergistic catalytic properties of bimetallic mesoporous materials containing aluminum and zirconium: the Prins cyclisation of citronellal.

Chemistry 17 , 2077-88, (2011)

Bimetallic three-dimensional amorphous mesoporous materials, Al-Zr-TUD-1 materials, were synthesised by using a surfactant-free, one-pot procedure employing triethanolamine (TEA) as a complexing reage...

Defect-Engineered Metal-Organic Frameworks.

Angew. Chem. Int. Ed. Engl. 54 , 7234-54, (2015)

Defect engineering in metal-organic frameworks (MOFs) is an exciting concept for tailoring material properties, which opens up novel opportunities not only in sorption and catalysis, but also in contr...

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: qHTS assay to identify small molecule antagonists of the peroxisome proliferator-acti...
Source: 824
Target: N/A
External Id: PPARGV841

Name: qHTS assay to identify small molecule agonists of the TGF-beta/Smad signaling pathway...
Source: 824
Target: N/A
External Id: TGF788

Name: qHTS assay to identify small molecule antagonists of the TGF-beta/Smad signaling path...
Source: 824
Target: N/A
External Id: TGF602

Name: qHTS assay to test for compound auto fluorescence at 535 nm (green) in HEK293 cell fr...
Source: 824
Target: N/A
External Id: SPEC167MG

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

Name: qHTS assay to identify small molecule agonists of the peroxisome proliferator-activat...
Source: 824
Target: N/A
External Id: PPARDV813

Name: qHTS assay to test for compound auto fluorescence at 590 nm (red) in HEK293 cell free...
Source: 824
Target: N/A
External Id: SPEC167MR

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

Name: qHTS assay to test for compound auto fluorescence at 535 nm (green) in HEK293 cells
Source: 824
Target: N/A
External Id: SPEC167CG

Total 188, Current Page 1 of 19

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

4-(tert-butyl)cyclohexanone

4-t-Butylcyclohexanone

4-tert-butyl-cyclohexanone

L6VTJ DX1&1&1

4-(tert-butyl)cyclohexan-1-one

4-(2-Methyl-2-propanyl)cyclohexanone

4-tert-butylcyclohexan-1-one

EINECS 202-678-5

4-(t-Butyl)cyclohexanone

p-tert-Butylcyclohexanone

MFCD00001642

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

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

A: Boiling point of 4-tert-Butylcyclohexanone is 225.1±0.0 °C at 760 mmHg.

Q: What is the CAS number of 4-tert-Butylcyclohexanone?

A: CAS number of 4-tert-Butylcyclohexanone is 98-53-3.

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

A: Related upstream materials(CAS) of 4-tert-Butylcyclohexanone: 118817-77-9;98-52-2;65156-97-0;167489-85-2;98-54-4;58911-63-0;13294-73-0;937-05-3.

Q: What English synonyms does 4-tert-Butylcyclohexanone have?

A: English synonyms of 4-tert-Butylcyclohexanone: 4-(tert-butyl)cyclohexanone, 4-t-Butylcyclohexanone, 4-tert-butyl-cyclohexanone, L6VTJ DX1&1&1, 4-(tert-butyl)cyclohexan-1-one, 4-(2-Methyl-2-propanyl)cyclohexanone, 4-tert-butylcyclohexan-1-one, EINECS 202-678-5, 4-(t-Butyl)cyclohexanone, p-tert-Butylcyclohexanone, MFCD00001642.

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

A: LogP of 4-tert-Butylcyclohexanone is 2.48.

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

A: Melting point of 4-tert-Butylcyclohexanone is 47-50 °C(lit.).

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

A: Polar surface area (PSA) of 4-tert-Butylcyclohexanone is 17.07000.

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

A: Safety information for 4-tert-Butylcyclohexanone: S26-S36.

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

A: SMILES notation of 4-tert-Butylcyclohexanone is CC(C)(C)C1CCC(=O)CC1.

Q: What is the molecular formula of 4-tert-Butylcyclohexanone?

A: Molecular formula of 4-tert-Butylcyclohexanone is C10H18O.

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-Butylcyclohexanone
Price: Check
Purity: 99.0%
Delivery: 10 Day
Contact: Yang
Email: sales@echemcloud.com

Dayang Chem (Hangzhou) Co., Ltd.
China
Product Name: 4-tert-Butylcyclohexanone
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-Butylcyclohexanone
Price: $Inquiry/1kg $Inquiry/25kg $Inquiry/1000kg $Inquiry/10ton
Purity: 99.0%
Delivery: Inquiry
Contact: Anson
Email: info@tianfuchem.com

Get all suppliers and price by the below link:

4-tert-Butylcyclohexanone suppliers

Price: ￥108/25g

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4-tert-Butylcyclohexanone

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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.