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3-methylheptane-2,4-diol

3-methylheptane-2,4-diol structure

CAS No:
6964-04-1
Formula:
C8H18O2
Chemical Name:
3-methylheptane-2,4-diol
Synonyms:
3-METHYL-2,4-HEPTANEDIOL; 3-Methyl-heptan-diol-2,4; 2,4-Heptanediol, 3-methyl-; 3-Methyl-heptan-2,4-diol; 3-methyl-heptane-2,4-diol; 3-methyl-1-heptane-2,4-diol;Expand

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3-methylheptane-2,4-diol Basic Attributes

Molecular Weight：

146.22700

Exact Mass：

146.130679813 g/mol

NSC Number：

66399

DSSTox ID：

DTXSID90290079

HScode：

2905399090

Characteristics

PSA：

40.46000

XLogP3：

1.16430

Density：

0.932g/cm3

Boiling Point：

233.1ºC

Flash Point：

102.6ºC

Refractive Index：

1.449

Safety Information

GHS Classification：

|Danger|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P332+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:146.23
XLogP3:1.4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:4
Exact Mass:146.130679813
Monoisotopic Mass:146.130679813
Topological Polar Surface Area:40.5
Heavy Atom Count:10
Complexity:83.3
Undefined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3-methylheptane-2,4-diol

Basic Attributes
Characteristics
Safety Information
Computed Properties

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