2-Hydroxytridecanoic acid
Basic information
- CAS
19790-87-5- Standard SMILES
CCCCCCCCCCCC(O)C(=O)O- InChIKey
KCEUZVYQPROALO-UHFFFAOYSA-N- Molecular formula
- C13H26O3
- Average molar mass
- 230.34 g/mol
- Monoisotopic mass
- 230.18819469
Overview
2-hydroxytridecanoic acid is a 2-hydroxy fatty acid that is tridecanoic acid substituted by a hydroxy group at position 2. It has a role as a fungal metabolite. It is functionally related to a tridecanoic acid.
Names & identifiers
- Preferred name
- 2-Hydroxytridecanoic acid
- IUPAC
- 2-hydroxytridecanoic acid
- English name
- (+/-)-2-Hydroxytridecanoic acid
- Molecular formula
- C13H26O3
- Molecular weight
- 230.34
Names & synonyms
2-hydroxytridecanoic acid19790-87-5CHEBI:84852DTXSID50415246RefChem:473526DTXCID00366097862-523-8Tridecanoic acid, 2-hydroxy-2-hydroxy-tridecanoic acidLMFA01050040hydroxy tridecanoic acidSCHEMBL524494
Show more names
(+/-)-2-Hydroxytridecanoic acid(+/-)-2-Hydroxytridecanoic acid
SCHEMBL1008153KCEUZVYQPROALO-UHFFFAOYSA-NEN300-1826753Q27158119Z2049964923
Database identifiers
- CAS
19790-87-5- PubChem CID
- 5282901
- DTXSID
DTXSID50415246- ChEBI
CHEBI:84852- EC Number
- 862-523-8
- Nikkaji
- J297.043K
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 57.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 11
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 169
Experimental & physicochemical properties
LipidsFatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Hydroxy fatty acids [FA0105]
Physicochemical properties
- Boiling point
- 363.1 · 363.1±15.0 °C(Predicted)
- Density
- 0.977 · 0.977±0.06 g/cm3(Predicted)
- pka
- 3.86 · 3.86±0.21(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Additional notes
DefinitionChEBI: 2-hydroxytridecanoic acid is a 2-hydroxy fatty acid that is tridecanoic acid substituted by a hydroxy group at position 2. It has a role as a fungal metabolite. It is functionally related to a tridecanoic acid.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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