3-Pentanone, 2,2,4,4-tetramethyl-

HCID 13152CAS 815-24-7
Substructure searchFind similar structures

Basic information

Standard SMILES
CC(C)(C)C(=O)C(C)(C)C
InChIKey
UIQGEWJEWJMQSL-UHFFFAOYSA-N
Molecular formula
C9H18O
Average molar mass
142.24 g/mol
Monoisotopic mass
142.1357652

Names & identifiers

Preferred name
3-Pentanone, 2,2,4,4-tetramethyl-
IUPAC
2,2,4,4-tetramethylpentan-3-one
English name
2,2,4,4-Tetramethyl-3-pentanone
Molecular formula
C9H18O
Molecular weight
142.24

Names & synonyms

815-24-72,2,4,4-Tetramethylpentan-3-one2,2,4,4-TETRAMETHYL-3-PENTANONEDi-tert-butyl ketone3-Pentanone, 2,2,4,4-tetramethyl-AI3-11096NSC 848EINECS 212-419-8DTXSID1061154RefChem:504729DTXCID4048222212-419-8
Show more names
InChI=1/C9H18O/c1-8(2,3)7(10)9(4,5)6/h1-6HHexamethylacetone2,2,4,4-Tetramethyl-pentan-3-oneMFCD000088459PW4P959GQ2,4,4-Tetramethyl-3-pentanoneNSC-8482,2,4,4-Tetramethyl-3-pentanone, 98%

Database identifiers

CAS
815-24-7
PubChem CID
13152
DTXSID
DTXSID1061154
UNII
9PW4P959GQ
EC Number
212-419-8
Nikkaji
J7.112I

Properties

Computed structural properties

XLogP
3
Topological polar surface area
17.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
2
Heavy atoms
10

Experimental & physicochemical properties

SpringerMaterials PropertiesSchoenflies notation
LogP3.0

Physicochemical properties

Melting point
-25.2 °C · -25.2 °C
Boiling point
152 °C · 152 °C
Density
0.8776 g/cm3 · 0.8776 g/cm3

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 46 reports by companies from 3 notifications to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesFlam. Liq. 3 (100%)

Chemistry & industry

Uses & manufacturing

General Manufacturing Information3-Pentanone, 2,2,4,4-tetramethyl-: ACTIVE

Suppliers50 total

毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
武汉欣扬瑞和化学科技有限公司13720274133 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]

Related reactions

1 records
New reaction record

Linked notes

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