2,3,4-Trimethyl-3-pentanol

Description

2,3,4-Trimethyl-3-pentanol is identified by CAS 3054-92-0, molecular formula C8H18O and molecular weight 130.14 g/mol. UNII E7OYT9FJ8F; InChIKey PLSMHHUFDLYURK-UHFFFAOYSA-N. Boiling Point: 78.00 °C. @ 46.00 mm Hg; Boiling Point: 156-157 °C; Density: 0.846-0.850.

Identification

CAS Registry Number	3054-92-0
PubChem CID	520484
Molecular formula	C8H18O
Molecular weight	130.14 g/mol
IUPAC name	2,3,4-trimethylpentan-3-ol
InChIKey	PLSMHHUFDLYURK-UHFFFAOYSA-N
UNII (FDA)	E7OYT9FJ8F
FEMA number	3903
JECFA number	1643

Computed Descriptors

Molecular Weight	130.23
XLogP3	2.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	130.135765193
Monoisotopic Mass	130.135765193
Topological Polar Surface Area	20.2
Heavy Atom Count	9
Formal Charge	0

Physical & Chemical Properties

Boiling Point	78.00 °C. @ 46.00 mm Hg
Boiling Point	156-157 °C
Density	0.846-0.850
Refractive Index	1.433-1.438

Physical description & handling notes

• Light brown or yellow liquid; [Alfa Aesar MSDS]
• Clear liquid; Fruity aroma
• Soluble in heptane; insoluble in water
• Soluble (in ethanol)

Regulatory Status

Regulatory & Food Contact	EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Fruit No safety concern at current levels of intake when used as a flavouring agent

GHS Hazard Classification

Reported hazard statements	H226 (96.6%), H302 (95.8%)

Documented Uses

• Used as flavoring agent or adjuvant; [FDA]
• Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
• Flavoring Agents -> JECFA Flavorings Index

Synonyms

2,3,4-Trimethyl-3-pentanol; 3054-92-0; 3-Pentanol, 2,3,4-trimethyl-; 1,1-Diisopropylethanol; Diisopropylmethylcarbinol; FEMA No. 3903; UNII-E7OYT9FJ8F; E7OYT9FJ8F; 2,3,4-Trimethyl-3-pentanol [FHFI]; DTXSID90184621; 1,1Diisopropylethanol; RefChem:81333; 2,3,4Trimethyl3pentanol; 3Pentanol, 2,3,4trimethyl; DTXCID30107112; PLSMHHUFDLYURK-UHFFFAOYSA-N

Frequently Asked Questions

What are the CAS number and molecular formula of 2,3,4-Trimethyl-3-pentanol?

CAS 3054-92-0; molecular formula C8H18O; molecular weight 130.14 g/mol.

What other names is 2,3,4-Trimethyl-3-pentanol known by?

2,3,4-Trimethyl-3-pentanol, 3054-92-0, 3-Pentanol, 2,3,4-trimethyl-, 1,1-Diisopropylethanol, Diisopropylmethylcarbinol, FEMA No. 3903.

What is the regulatory status of 2,3,4-Trimethyl-3-pentanol?

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

Is 2,3,4-Trimethyl-3-pentanol classified as hazardous?

Hazard statements reported: H226, H302.

What are the key physical properties of 2,3,4-Trimethyl-3-pentanol?

Boiling Point: 78.00 °C. @ 46.00 mm Hg; Boiling Point: 156-157 °C; Density: 0.846-0.850; Refractive Index: 1.433-1.438.

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.