新戊醇

Description

Neopentyl Alcohol · CAS 75-84-3 · C5H12O. UNII 5I067PJD7S. Boiling Point: 114 °C; Melting Point: 53 °C; Flash Point: 98 °F (37 °C) (CLOSED CUP).

Identification

CAS Registry Number	75-84-3
PubChem CID	6404
Molecular formula	C5H12O
IUPAC name	2,2-dimethylpropan-1-ol
UNII (FDA)	5I067PJD7S

Computed Descriptors

Molecular Weight	88.15
XLogP3	1.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	88.088815002
Monoisotopic Mass	88.088815002
Topological Polar Surface Area	20.2
Heavy Atom Count	6
Formal Charge	0

Physical & Chemical Properties

Boiling Point	114 °C
Melting Point	53 °C
Flash Point	98 °F (37 °C) (CLOSED CUP)
Density	0.812 @ 20 °C/4 °C
Vapor Density	3.0 (AIR= 1)
Vapor Pressure	16.0 [mmHg]
Vapor Pressure	16 MM HG @ 20 °C
LogP	log Kow = 1.31
LogP	1.29
Surface Tension	14.87 mN/m

Physical description & handling notes

• Volatile solid with an odor of peppermint; [Merck Index] Colorless to white solid; [CHEMINFO] White crystalline solid; [MSDSonline]
• CRYSTALS
• PEPPERMINT ODOR
• MISCIBLE WITH ALC, ETHER; IN WATER: ABOUT 3.5% @ 25 °C
• Water solubility = 3.5X10+4 mg/L at 25 °C.
• Liquid density = 851.5 kg/cu m

Regulatory Status

GHS notification summary	15.7% (29 / 185)

GHS Hazard Classification

GHS notification summary	15.7% (29 / 185)
Reported hazard statements	H226 (23.8%), H228 (60.5%), H319 (21.1%), H332 (80.5%), H335 (81.1%)

Documented Uses

• No specific uses were located for 2,2-dimethyl-1-propanol. In general, pentanols are used in the manufacture of lacquers, chemicals, pharmaceuticals and plastics; and used as flavouring agents and in fragrances. [CHEMINFO]
• USED IN PHARMACEUTICAL PREPARATIONS; FLOTATION AGENT; ORGANIC SYNTHESIS /AMYL ALCOHOLS/
• Review of manuf (by fractionation of fusel oil & via chlorination of pentanes) and properties: Industrial Chemicals, 2nd ed. W.L. Faith et al., Eds. NY,NY: Wiley & Sonspp. 107-14 (1957).
• (1984) 1.89X10+8 g/AMYL ALCOHOLS/
• 1-Propanol, 2,2-dimethyl-: ACTIVE
• ...USED IN MFR OF LACQUERS, CHEMICALS, RUBBER, PLASTICS, FRUIT ESSENCES, & EXPLOSIVES, THEY ARE USED AS COMPONENT OF PAINT STRIPPERS & HYDRAULIC FLUIDS & AS INTERMEDIATE OF ORE-FLOTATION AGENTS & OTHER AMYL DERIVATIVES. /AMYL ALC/

Synonyms

NEOPENTYL ALCOHOL; 75-84-3; 2,2-dimethylpropan-1-ol; 2,2-Dimethyl-1-propanol; 2,2-Dimethylpropanol; tert-Butylcarbinol; Neoamyl alcohol; Neopentanol; 1-Propanol, 2,2-dimethyl-; tert-Butyl carbinol; 2,2-Dimethylpropyl alcohol; 5I067PJD7S; DTXSID9052501; RefChem:832324; DTXCID3031074; 200-907-3

Frequently Asked Questions

What are the CAS number and molecular formula of Neopentyl Alcohol?

CAS 75-84-3; molecular formula C5H12O; molecular weight — g/mol.

What other names is Neopentyl Alcohol known by?

NEOPENTYL ALCOHOL, 75-84-3, 2,2-dimethylpropan-1-ol, 2,2-Dimethyl-1-propanol, 2,2-Dimethylpropanol, tert-Butylcarbinol.

Is Neopentyl Alcohol classified as hazardous?

15.7% of GHS notifications report no hazard classification (29 of 185).

What are the key physical properties of Neopentyl Alcohol?

Boiling Point: 114 °C; Melting Point: 53 °C; Flash Point: 98 °F (37 °C) (CLOSED CUP); Density: 0.812 @ 20 °C/4 °C.

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.