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2,2-DIMETHYLHEXANOICACID

2,2-DIMETHYLHEXANOICACID structure

CAS No:
813-72-9
Formula:
C8H16O2
Chemical Name:
2,2-DIMETHYLHEXANOICACID
Synonyms:
NEOOCTANOIC ACID;2,2-Dimethylcaproic acid;2,2-DIMETHYLHEXANOIC ACID;2,2-Dimethylhexanoicacid,94%;2,2-Dimethylhexanoic acid 98%
Categories:
Chemical Reagents > Organic Reagents

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Description

2,2-dimethyl-hexanoic acid is a medium-chain fatty acid.

2,2-DIMETHYLHEXANOICACID Basic Attributes

Molecular Weight：

144.21

Exact Mass：

144.11500

BRN：

1749961

DSSTox ID：

DTXSID00276526

HScode：

2915900090

Characteristics

PSA：

37.3

XLogP3：

2.28740

Density：

0,913 g/cm3

Melting Point：

-21.25°C (estimate)

Boiling Point：

216-220°C

Flash Point：

216-220°C

Refractive Index：

1.4270

Safety Information

Packing level：

Hazard category：

Transport codes：

3265

hazard class code：

safety instructions：

26-36/37/39-45

Marks：

Hazard note：

Irritant

Precautionary statement(s)：

P234, P260, P261, P264, P271, P280, P301+P330+P331, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P310, P312, P321, P332+P313, P337+P313, P362, P363, P390, P403+P233, P404, P405, P501

Hazard Statements：

H290

GHS Classification：

|Danger|H290 (16.67%): May be corrosive to metals [Warning Corrosive to Metals]|P234, P260, P261, P264, P271, P280, P301+P330+P331, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P310, P312, P321, P332+P313, P337+P313, P362, P363, P390, P403+P233, P404, P405, and P501|Aggregated GHS information provided by 6 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

2,2-DIMETHYLHEXANOICACID Use and Manufacturing

Use Classification：

Fatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Branched fatty acids [FA0102]

Computed Properties

Molecular Weight:144.21
XLogP3:2.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:4
Exact Mass:144.115029749
Monoisotopic Mass:144.115029749
Topological Polar Surface Area:37.3
Heavy Atom Count:10
Complexity:116
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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813-72-9 2,2-dimethylhexanoic acid

CAS No.: 813-72-9

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