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6-Hydroxyhexanoic acid

6-Hydroxyhexanoic acid structure

CAS No:
1191-25-9
Formula:
C6H12O3
Chemical Name:
6-Hydroxyhexanoic acid
Synonyms:
Hexanoic acid,6-hydroxy-;6-Hydroxyhexanoic acid;6-Hydroxycaproic acid;ε-Hydroxycaproic acid;NSC 617319
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

Description

Solid

6-hydroxyhexanoic acid is an omega-hydroxy fatty acid comprising hexanoic acid having a hydroxy group at the 6-position. It has a role as a bacterial xenobiotic metabolite. It is a 6-hydroxy monocarboxylic acid, an omega-hydroxy fatty acid, a medium-chain fatty acid and a straight-chain fatty acid. It derives from a hexanoic acid. It is a conjugate acid of a 6-hydroxyhexanoate.

6-Hydroxyhexanoic acid Basic Attributes

Molecular Weight：

132.16

Exact Mass：

132.16

UNII：

3Y3OX37NM8

NSC Number：

617319

DSSTox ID：

DTXSID00152316

HScode：

2918199090

Characteristics

PSA：

57.5

XLogP3：

-0.191 (est)

Appearance：

Solid

Density：

1.0214 g/cm³ @ Temp: 20 °C

Melting Point：

40-41 °C

Boiling Point：

135-140 °C @ Press: 16 Torr

Flash Point：

>110ºC

Refractive Index：

1.44

Water Solubility：

2.287e+005 mg/L @ 25 °C (est)

Safety Information

Transport codes：

UN 1760 8

hazard class code：

R34

safety instructions：

S24/25

Marks：

GHS Classification：

|Danger|H228 (16.67%): Flammable solid [Danger Flammable solids]|P210, P240, P241, 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, P370+P378, P403+P233, P405, and P501|Aggregated GHS information provided by 6 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

5-hydroxypentanecarboxylic acid

6-Hydroxyhexanoic acid Use and Manufacturing

Use Classification：

Fatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Hydroxy fatty acids [FA0105]

Computed Properties

Molecular Weight:132.16
XLogP3:-0.4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:5
Exact Mass:132.078644241
Monoisotopic Mass:132.078644241
Topological Polar Surface Area:57.5
Heavy Atom Count:9
Complexity:80.4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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1191-25-9 6-hydroxyhexanoic acid

CAS No.: 1191-25-9

Grade: Industrial Grade

Content: 95%

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