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2,6-Dihydroxy-2,6-dimethyl-4-heptanone

2,6-Dihydroxy-2,6-dimethyl-4-heptanone structure

CAS No:
3682-91-5
Formula:
C9H18O3
Chemical Name:
2,6-Dihydroxy-2,6-dimethyl-4-heptanone
Synonyms:
4-Heptanone,2,6-dihydroxy-2,6-dimethyl-;2,6-Dihydroxy-2,6-dimethyl-4-heptanone;Triacetone alcohol

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2,6-Dihydroxy-2,6-dimethyl-4-heptanone Basic Attributes

Molecular Weight：

174.23742

Exact Mass：

174.24

EC Number：

222-968-5

DSSTox ID：

DTXSID2063133

HScode：

2914400090

Characteristics

PSA：

57.5

XLogP3：

0.87750

Density：

1.029g/cm3

Melting Point：

57-58 °C

Boiling Point：

245.22°C (rough estimate)

Flash Point：

144ºC

Refractive Index：

1.464

Safety Information

Precautionary statement(s)：

P264, P280, P305+P351+P338, P33, P313

Hazard Statements：

H319

GHS Classification：

|Warning|H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]|P264, P280, P305+P351+P338, and P337+P313|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory.

2,6-Dihydroxy-2,6-dimethyl-4-heptanone Use and Manufacturing

Manufacturing Info：

4-Heptanone, 2,6-dihydroxy-2,6-dimethyl-: INACTIVE

Computed Properties

Molecular Weight:174.24
XLogP3:-0.3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:174.125594432
Monoisotopic Mass:174.125594432
Topological Polar Surface Area:57.5
Heavy Atom Count:12
Complexity:153
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2,6-Dihydroxy-2,6-dimethyl-4-heptanone

Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties

2,6-Dihydroxy-2,6-dimethyl-4-heptanone

SDS

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