1,3-Dithiane,2-methyl-2-phenyl

Modify Date: 2026-07-19 13:07:32

1,3-Dithiane,2-methyl-2-phenyl structure	Common Name	1,3-Dithiane,2-methyl-2-phenyl
	CAS Number	6331-22-2	Molecular Weight	210.35900
	Density	1.118g/cm3	Boiling Point	325.8ºC at 760 mmHg
	Molecular Formula	C₁₁H₁₄S₂	Melting Point	N/A
	MSDS	N/A	Flash Point	153.3ºC

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

Name	2-methyl-2-phenyl-1,3-dithiane
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	1.118g/cm3
Boiling Point	325.8ºC at 760 mmHg
Molecular Formula	C₁₁H₁₄S₂
Molecular Weight	210.35900
Flash Point	153.3ºC
Exact Mass	210.05400
PSA	50.60000
LogP	3.72940
Index of Refraction	1.594
InChIKey	CAVORIBXCDTNBO-UHFFFAOYSA-N
SMILES	CC1(c2ccccc2)SCCCS1

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

CHEMICAL IDENTIFICATION

RTECS NUMBER :: JO5265000

CHEMICAL NAME :: m-Dithiane, 2-methyl-2-phenyl-

CAS REGISTRY NUMBER :: 6331-22-2

LAST UPDATED :: 198806

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C11-H14-S2

MOLECULAR WEIGHT :: 210.37

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

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

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 1500 mg/kg

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

REFERENCE :: EJMCA5 European Journal of Medicinal Chemistry--Chimie Therapeutique. (Editions Scientifiques Elsevier, 29 rue Buffon, F-75005, Paris, France) V.9- 1974- Volume(issue)/page/year: 19,461,1984

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#:109-80-8 1,3-Propanedithiol CAS#:98-86-2 Acetophenone CAS#:878-57-9 1,3-Dioxane,2-m... CAS#:4316-37-4 Acetophenone di...
CAS#:3674-77-9 Acetophenone et... CAS#:55727-23-6 3-(1,3-DITHIAN-... CAS#:110954-16-0 3,9-dimethyl-3,... CAS#:583-11-9 Ethanone, 1-phe...
CAS#:7196-01-2 4-(1-phenylethe...
DownStream 8
CAS#:98-86-2 Acetophenone CAS#:614-21-1 2-Nitroacetophenone CAS#:109-80-8 1,3-Propanedithiol CAS#:68669-68-1 (E)-trimethyl(2...
CAS#:77130-15-5 trimethyl(2-phe... CAS#:878-57-9 1,3-Dioxane,2-m... CAS#:89710-17-8 ethyl 2-[3-(1-p... CAS#:60973-46-8 2-phenyl-6,7-di...

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

1,3-Dithiane,2-methyl-2-phenyl

2-methyl-2-phenyl-[1,3]dithiane

2-methylphenyl-1,3-dithiane

2-Methyl-2-phenyl-[1,3]dithian

m-DITHIANE,2-METHYL-2-PHENYL

2-Methyl-2-phenyl-m-dithiane

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

Q: What is the InChIKey of 2-methyl-2-phenyl-1,3-dithiane?

A: InChIKey of 2-methyl-2-phenyl-1,3-dithiane is CAVORIBXCDTNBO-UHFFFAOYSA-N.

Q: What English synonyms does 2-methyl-2-phenyl-1,3-dithiane have?

A: English synonyms of 2-methyl-2-phenyl-1,3-dithiane: 1,3-Dithiane,2-methyl-2-phenyl, 2-methyl-2-phenyl-[1,3]dithiane, 2-methylphenyl-1,3-dithiane, 2-Methyl-2-phenyl-[1,3]dithian, m-DITHIANE,2-METHYL-2-PHENYL, 2-Methyl-2-phenyl-m-dithiane.

Q: What is the English name of 2-methyl-2-phenyl-1,3-dithiane?

A: The English name of 2-methyl-2-phenyl-1,3-dithiane is 2-methyl-2-phenyl-1,3-dithiane.

Q: What is the molecular weight of 2-methyl-2-phenyl-1,3-dithiane?

A: Molecular weight of 2-methyl-2-phenyl-1,3-dithiane is 210.35900.

Q: What are the downstream products of 2-methyl-2-phenyl-1,3-dithiane?

A: Related downstream products(CAS) of 2-methyl-2-phenyl-1,3-dithiane: 98-86-2;614-21-1;109-80-8;68669-68-1;77130-15-5;878-57-9;89710-17-8;60973-46-8.

Q: What is the polar surface area (PSA) of 2-methyl-2-phenyl-1,3-dithiane?

A: Polar surface area (PSA) of 2-methyl-2-phenyl-1,3-dithiane is 50.60000.

Q: What is the SMILES notation of 2-methyl-2-phenyl-1,3-dithiane?

A: SMILES notation of 2-methyl-2-phenyl-1,3-dithiane is CC1(c2ccccc2)SCCCS1.

Q: What is the Chinese name of 6331-22-2?

A: Chinese name of 6331-22-2 is 6331-22-2.

Q: What is the boiling point of 2-methyl-2-phenyl-1,3-dithiane?

A: Boiling point of 2-methyl-2-phenyl-1,3-dithiane is 325.8ºC at 760 mmHg.

Q: What is the molecular formula of 2-methyl-2-phenyl-1,3-dithiane?

A: Molecular formula of 2-methyl-2-phenyl-1,3-dithiane is C11H14S2.

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

Dayang Chem (Hangzhou) Co., Ltd.

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Product Name: 1,3-Dithiane,2-methyl-2-phenyl-
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1,3-Dithiane,2-methyl-2-phenyl

Names

Chemical & Physical Properties

Toxicological Information

CHEMICAL IDENTIFICATION

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

Synthetic Route

Precursor & DownStream

Synonyms

1,3-Dithiane,2-methyl-2-phenyl | FAQ

1,3-Dithiane,2-methyl-2-phenylfactory

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