6-Hydroxyhexanoic Acid

HCID 14490
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Basic information

CAS
1191-25-9
Standard SMILES
O=C(O)CCCCCO
InChIKey
IWHLYPDWHHPVAA-UHFFFAOYSA-N
Molecular formula
C6H12O3
Average molar mass
132.16 g/mol
Monoisotopic mass
132.07864424

Names & identifiers

Preferred name
6-Hydroxyhexanoic Acid
IUPAC
6-hydroxyhexanoic acid
English name
6-Hydroxycaproic acid
Molecular formula
C6H12O3
Molecular weight
132.16

Names & synonyms

6-Hydroxyhexanoic acid1191-25-9Hexanoic acid, 6-hydroxy-epsilon-Hydroxycaproic acid3Y3OX37NM85-hydroxypentanecarboxylic acidCHEBI:17869DTXSID00152316RefChem:104785DTXCID40748076-HYDROXYCAPROIC ACIDMFCD00046560
Show more names
6-hydroxyhexanoateNSC 6173198-Hydroxyhexanoic acid6-Hydroxycaproic acid,95%6-Hydroxycaproic Acid,Contains Lactone6-Hydroxycaproicacid,pract.,containslactone
6-hydroxy caproic acid6-hydroxy-hexanoic acid5-carboxypentanolUNII-3Y3OX37NM86-hydroxy-caproic acid6-Hydroxyhexanoic acid #Hexanoic acid,6-hydroxy-6-HYDROCAPROIC ACID

Database identifiers

CAS
1191-25-9
PubChem CID
14490
DTXSID
DTXSID00152316
ChEMBL
CHEMBL2006530
ChEBI
CHEBI:17869
UNII
3Y3OX37NM8
EC Number
681-173-5
Nikkaji
J262.001D

Properties

Computed structural properties

XLogP
-0.4
Topological polar surface area
57.5 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
3
Rotatable bonds
5
Heavy atoms
9

Experimental & physicochemical properties

Physical DescriptionSolid
Kovats Retention Index2540.1

Physicochemical properties

Melting point
38 · 38-40 °C
Boiling point
113 · 113-116 °C
Density
0.981 · 0.981
refractive index
1.44 · 1.44
Flash point
110 °C · >110°C
storage temp.
-20 °C · Sealed in dry,Store in freezer, under -20°C

Safety & regulation

GHS classification

GHS Classification · 5 items

Danger

H228 (14.3%): Flammable solid [Danger Flammable solids]；H314 (14.3%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H315 (85.7%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (85.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (71.4%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P210, P240, P241, P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P332+P317, P337+P317, P362+P364, P363, P370+P378, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 7 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (85.7%)；Eye Irrit. 2 (85.7%)

Safety data

ridadr
UN 1760 8/PG 2
hs_code
29181998
risk_code
34
Signal word
Warning
Symbol(GHS)
GHS07
hazard_code
C

Chemistry & industry

Applications

Uses6-Hydroxyhexanoic acid acts as a useful reagent in synthetic chemistry. It is used as a precursor to prepare surface active monomers.

Upstream & downstream products

Suppliers97 total

上海康恩博医药科技有限公司17510465506 · [email protected]
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
Additional notes · 1 item

DefinitionChEBI: 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, a straight-chain fatty acid and an omega-hydroxy-medium-chain fatty acid. It is functionally related to a hexanoic acid. It is a conjugate acid of a 6-hydroxyhexanoate.

Related reactions

44 records
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Compound notes

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