二异丁基甲醇

Description

Diisobutylcarbinol · CAS 108-82-7 · C9H20O. UNII X5ATE41R0F. Boiling Point: 352 °F at 760 mmHg (USCG, 1999); Boiling Point: 176-177 °C @ 760 MM HG; Boiling Point: 174.00 to 178.00 °C. @ 760.00 mm Hg.

Identification

CAS Registry Number	108-82-7
PubChem CID	7957
Molecular formula	C9H20O
IUPAC name	2,6-dimethylheptan-4-ol
UNII (FDA)	X5ATE41R0F
FEMA number	3140
JECFA number	303

Computed Descriptors

Molecular Weight	144.25
XLogP3	3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	4
Exact Mass	144.151415257
Monoisotopic Mass	144.151415257
Topological Polar Surface Area	20.2
Heavy Atom Count	10
Formal Charge	0

Physical & Chemical Properties

Boiling Point	352 °F at 760 mmHg (USCG, 1999)
Boiling Point	176-177 °C @ 760 MM HG
Boiling Point	174.00 to 178.00 °C. @ 760.00 mm Hg
Boiling Point	178 °C
Melting Point	-85 °F (USCG, 1999)
Flash Point	165 °F (USCG, 1999)
Flash Point	162 °F OC
Solubility	0.445 mg/mL at 25 °C
Density	0.809 @ 21 °C/4 °C
Density	0.809-0.815 (20 °C)

Physical description & handling notes

• Diisobutylcarbinol appears as a colorless liquid. Flash point 162 °F. Less dense than water and insoluble in water. Vapors heavier than air.
• CBI; Liquid
• Colorless liquid; [HSDB]
• Liquid
• colourless liquid
• COLORLESS LIQUID

Regulatory Status

Regulatory & Food Contact	EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Green No safety concern at current levels of intake when used as a flavouring agent
GHS notification summary	86.4% (1591 / 1841)

GHS Hazard Classification

GHS notification summary	86.4% (1591 / 1841)
Reported hazard statements	H319 (12.5%), H335 (10.9%), H336 (11.5%), H412 (12.9%), H227, H320

Documented Uses

• Used as solvent for coating compositions of urea or melamine resins and to make lubricant additives and plasticizers; Also used in surface-active agents, rubber chemicals, flotation agents, antifoam agents, and flavors; [HSDB]
• AS SOLVENT FOR COATING COMPOSITIONS OF UREA OR MELAMINE RESINS & FOR PREPN OF LUBRICANT ADDITIVES & PLASTICIZERS
• SURFACE-ACTIVE AGENTS; LUBRICANT ADDITIVES, RUBBER CHEMICALS, FLOTATION AGENTS, ANTIFOAM AGENT
• REACTION MEDIUM FOR HYDROGEN PEROXIDE PRODUCTION; DEFOAMER
• Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
• Flavoring Agents -> JECFA Flavorings Index

Synonyms

2,6-Dimethylheptan-4-ol; 108-82-7; 2,6-Dimethyl-4-heptanol; Diisobutylcarbinol; DIISOBUTYL CARBINOL; 4-Heptanol, 2,6-dimethyl-; FEMA No. 3140; 4-Hydroxy-2,6-dimethyl heptane; Nonyl alcohol, secondary; DTXSID8026802; X5ATE41R0F; DTXCID006802; NSC-62683; RefChem:83294; 203-619-6; sec-Nonyl alcohol

Frequently Asked Questions

What are the CAS number and molecular formula of Diisobutylcarbinol?

CAS 108-82-7; molecular formula C9H20O; molecular weight — g/mol.

What other names is Diisobutylcarbinol known by?

2,6-Dimethylheptan-4-ol, 108-82-7, 2,6-Dimethyl-4-heptanol, Diisobutylcarbinol, DIISOBUTYL CARBINOL, 4-Heptanol, 2,6-dimethyl-.

What is the regulatory status of Diisobutylcarbinol?

Documented regulatory listings: EU Flavoring substances; FDA Substance added to food: FLAVORING AGENT OR ADJUVANT; Flavoring Agents.

Is Diisobutylcarbinol classified as hazardous?

86.4% of GHS notifications report no hazard classification (1591 of 1841).

What are the key physical properties of Diisobutylcarbinol?

Boiling Point: 352 °F at 760 mmHg (USCG, 1999); Boiling Point: 176-177 °C @ 760 MM HG; Boiling Point: 174.00 to 178.00 °C. @ 760.00 mm Hg; Boiling Point: 178 °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.