3,3-二甲基-1-丁醇

Description

3,3-dimethyl-1-butanol · CAS 624-95-3 · C6H14O. UNII 543OYD666T. LogP: 1.57.

Identification

CAS Registry Number	624-95-3
PubChem CID	12233
Molecular formula	C6H14O
IUPAC name	3,3-dimethylbutan-1-ol
UNII (FDA)	543OYD666T

Computed Descriptors

Molecular Weight	102.17
XLogP3	1.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	102.104465066
Monoisotopic Mass	102.104465066
Topological Polar Surface Area	20.2
Heavy Atom Count	7
Formal Charge	0

Physical & Chemical Properties

LogP	1.57

Physical description & handling notes

• Colorless liquid with an odor like alcohol; [Alfa Aesar MSDS]

GHS Hazard Classification

Reported hazard statements	H226 (100%)

Documented Uses

• 1-Butanol, 3,3-dimethyl-: ACTIVE

Synonyms

3,3-DIMETHYL-1-BUTANOL; 3,3-Dimethylbutan-1-ol; 624-95-3; 1-Butanol, 3,3-dimethyl-; DTXSID3060796; 543OYD666T; NSC-54158; RefChem:485455; DTXCID0043347; 210-872-6; 3,3-Dimethylbutanol; Neohexanol; MFCD00002928; 3,3-Dimethyl-butan-1-ol; C6H14O; CHEMBL25029

Frequently Asked Questions

What are the CAS number and molecular formula of 3,3-dimethyl-1-butanol?

CAS 624-95-3; molecular formula C6H14O; molecular weight — g/mol.

What other names is 3,3-dimethyl-1-butanol known by?

3,3-DIMETHYL-1-BUTANOL, 3,3-Dimethylbutan-1-ol, 624-95-3, 1-Butanol, 3,3-dimethyl-, DTXSID3060796, 543OYD666T.

Is 3,3-dimethyl-1-butanol classified as hazardous?

Hazard statements reported: H226.

What are the key physical properties of 3,3-dimethyl-1-butanol?

LogP: 1.57.

Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.