MilliporeSigma
All Photos(2)

Documents

165131

Sigma-Aldrich

2,5-Hexanedione

≥98%

Sign Into View Organizational & Contract Pricing

Synonym(s):
Acetonylacetone
Linear Formula:
CH3COCH2CH2COCH3
CAS Number:
Molecular Weight:
114.14
Beilstein/REAXYS Number:
506525
EC Number:
MDL number:
PubChem Substance ID:
NACRES:
NA.22

vapor pressure

0.43 mmHg ( 20 °C)

assay

≥98%

form

liquid

refractive index

n20/D 1.425 (lit.)

bp

191 °C (lit.)

mp

−6-−5 °C (lit.)

solubility

alcohol: miscible
diethyl ether: miscible
water: miscible

density

0.973 g/mL at 25 °C (lit.)

SMILES string

CC(=O)CCC(C)=O

InChI

1S/C6H10O2/c1-5(7)3-4-6(2)8/h3-4H2,1-2H3

InChI key

OJVAMHKKJGICOG-UHFFFAOYSA-N

Looking for similar products? Visit Product Comparison Guide

Related Categories

Compare Similar Items

View Full Comparison

Show Differences

1 of 4

This Item
1441698.0010575034
2,5-Hexanedione ≥98%

165131

2,5-Hexanedione

2,3-Hexanedione technical grade, 90%

144169

2,3-Hexanedione

2,5-Hexanedione for synthesis

8.00105

2,5-Hexanedione

2,3-Hexanedione analytical standard

75034

2,3-Hexanedione

solubility

alcohol: miscible, water: miscible, diethyl ether: miscible

solubility

-

solubility

-

solubility

-

mp

−6-−5 °C (lit.)

mp

-

mp

-5.4 °C

mp

-

form

liquid

form

liquid

form

liquid

form

-

bp

191 °C (lit.)

bp

128 °C (lit.)

bp

85-87 °C/26.6 hPa

bp

128 °C (lit.)

refractive index

n20/D 1.425 (lit.)

refractive index

n20/D 1.412 (lit.)

refractive index

-

refractive index

n20/D 1.409, n20/D 1.412 (lit.)

General description

2,5-Hexanedione is a major metabolite of the neurotoxic industrial solvent methyl n-butyl ketone. It reacts with amines to yield 2,5-dimethylpyrroles.

Application

2,5-Hexanedione was used as starting reagent in the synthesis of trans-2,5-dimethylpyrrolidine.
It was used as reference standard for the determination of 2,5HD in human urine using gas chromatography-electron capture detection and gas chromatography-mass selective detection.

pictograms

Exclamation markHealth hazard

signalword

Warning

Hazard Classifications

Acute Tox. 4 Oral - Eye Irrit. 2 - Repr. 2 - Skin Irrit. 2 - STOT RE 2

target_organs

Nervous system

Storage Class

10 - Combustible liquids

wgk_germany

WGK 2

flash_point_f

174.2 °F

flash_point_c

79 °C

ppe

Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter


Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

Already Own This Product?

Documents related to the products that you have purchased in the past have been gathered in the Document Library for your convenience.

Visit the Document Library

Difficulty Finding Your Product Or Lot/Batch Number?

Product numbers are combined with Pack Sizes/Quantity when displayed on the website (example: T1503-25G). Please make sure you enter ONLY the product number in the Product Number field (example: T1503).

Example:

T1503
Product Number
-
25G
Pack Size/Quantity

Additional examples:

705578-5MG-PW

PL860-CGA/SHF-1EA

MMYOMAG-74K-13

1000309185

enter as 1.000309185)

Having trouble? Feel free to contact Technical Service for assistance.

Lot and Batch Numbers can be found on a product's label following the words 'Lot' or 'Batch'.

Aldrich Products

  • For a lot number such as TO09019TO, enter it as 09019TO (without the first two letters 'TO').

  • For a lot number with a filling-code such as 05427ES-021, enter it as 05427ES (without the filling-code '-021').

  • For a lot number with a filling-code such as STBB0728K9, enter it as STBB0728 without the filling-code 'K9'.

Not Finding What You Are Looking For?

In some cases, a COA may not be available online. If your search was unable to find the COA you can request one.

Request COA

Customers Also Viewed

Slide 1 of 6

1 of 6

E K Allard et al.
Toxicology and applied pharmacology, 137(2), 149-156 (1996-04-01)
The Sertoli cell toxicant 2,5-hexanedione (2,5-HD) causes irreversible testicular atrophy in rats. After toxicant exposure, only Sertoli cells, stem cells, and a few spermatogonia remain in the seminiferous epithelium. In this study, the number, type, and fate of the remaining
An improved synthesis of (-)-(2R, 5R)-2, 5-dimethylpyrrolidine.
Short RP, et al.
The Journal of Organic Chemistry, 54(7), 1755-1756 (1989)
D C Anthony et al.
Toxicology and applied pharmacology, 71(3), 372-382 (1983-12-01)
3,4-Dimethyl-2,5-hexanedione and 2,5-hexanedione were reacted with model amines to yield N-substituted 2,3,4,5-tetramethylpyrroles and 2,5-dimethylpyrroles, respectively. When compared to the unsubstituted parent compound 2,5-hexanedione, 3,4-dimethyl-2,5-hexanedione was found to cyclize approximately eight times as rapidly on a molar basis at 37 degrees
Gas chromatographic method for the sensitive determination of 2, 5-hexanedione using electron capture and mass-selective detection.
Konidari, C. N., C. D. Stalikas, and M. I. Karayannis
Analytica Chimica Acta, 442.2, 231-239 (2001)
P S Spencer et al.
Journal of neurology, neurosurgery, and psychiatry, 38(8), 771-775 (1975-08-01)
Chronic exposure of rats to 2,5-hexanedione (CH3COCH2CH2COCH3), a major metabolite of the neurotoxic industrial solvent methyl n-buryl ketone (CH3COCH2CH2CH2CH3), has been shown to cause a clinical peripheral neuropathy with dying-back peripheral and central nervous system degeneration characterized by giant axonal

Our team of scientists has experience in all areas of research including Life Science, Material Science, Chemical Synthesis, Chromatography, Analytical and many others.

Contact Technical Service