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4-METHYL-4-HEPTANOL

4-METHYL-4-HEPTANOL structure

CAS No:
598-01-6
Formula:
C8H18O
Chemical Name:
4-METHYL-4-HEPTANOL
Synonyms:
4-METHYL-4-HEPTANOL;4-methyl-heptan-4-ol;4-Heptanol,4-methyl-;METHYLDIPROPYLCARBINOL;4-METHYL-4-HEPTANOL98+%;METHYLDI-N-PROPYLCARBINOL;4-Hydroxy-4-methylheptane

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4-METHYL-4-HEPTANOL Basic Attributes

Molecular Weight：

130.231

Exact Mass：

130.13600

NSC Number：

71544

DSSTox ID：

DTXSID60208525

Characteristics

PSA：

20.2

XLogP3：

2.33760

Density：

0.823g/cm3

Melting Point：

-82°C

Boiling Point：

161ºC at 760mmHg

Flash Point：

60.6ºC

Refractive Index：

1.427

Water Solubility：

0.03 M

Safety Information

Precautionary statement(s)：

P280, P305+P351+P338, P310

Hazard Statements：

H318

GHS Classification：

|Danger|H318 (97.44%): Causes serious eye damage [Danger Serious eye damage/eye irritation]|P280, P305+P351+P338, and P310|Aggregated GHS information provided by 39 companies from 2 notifications to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:130.23
XLogP3:2.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:4
Exact Mass:130.135765193
Monoisotopic Mass:130.135765193
Topological Polar Surface Area:20.2
Heavy Atom Count:9
Complexity:63
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 4-METHYL-4-HEPTANOL

Basic Attributes
Characteristics
Safety Information
Computed Properties

4-METHYL-4-HEPTANOL

SDS

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