4-Oxatetradecanoic acid
Basic information
- CAS
7420-16-8- Standard SMILES
CCCCCCCCCCOCCC(=O)O- InChIKey
ZYLHDTBQHXSLEZ-UHFFFAOYSA-N- Molecular formula
- C13H26O3
- Average molar mass
- 230.34 g/mol
- Monoisotopic mass
- 230.18819469
Overview
fungicidal for Cryptococcus neoformans & inhibits replication of HIV I; structure given in first source
Names & identifiers
- Preferred name
- 4-Oxatetradecanoic acid
- IUPAC
- 3-decoxypropanoic acid
- English name
- 4-Oxatetradecanoic acid
- Molecular formula
- C13H26O3
- Molecular weight
- 230.34
Names & synonyms
4-oxatetradecanoic acid7420-16-8Propanoic acid, 3-(decyloxy)-DTXSID00225195RefChem:100253DTXCID00147686636-130-53-decoxypropanoic acid3-(Decyloxy)propanoic acid4-OXATETRADECANOICACID4-Oxymyristic acidNSC666072
Show more names
4-Hxatetradecanoicacid3-[DECYLOXY]PROPANOIC ACID3-(Decyloxy)propanoic acid (technical grade)
Propanoic acid,3-(decyloxy)-NSC-6660723-decyloxypropanoic acid3-Decanoxypropanoic acidCBiol_0020242-methoxy-4-oxatetradecanoicBSPBio_001441KBioGR_000161
Database identifiers
- CAS
7420-16-8- PubChem CID
- 1754
- DTXSID
DTXSID00225195- ChEMBL
CHEMBL1871969- EC Number
- 636-130-5
- Nikkaji
- J813.525H
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 12
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 157
Physicochemical properties
- Melting point
- 36.8 °C · 36.8 °C
- Boiling point
- 335.2 · 335.2±25.0 °C(Predicted)
- Density
- 0.943 · 0.943±0.06 g/cm3(Predicted)
- storage temp.
- 20 °C · −20°C
- form
- Low melting white to off-white solid.
- pka
- 4.31 · 4.31±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H335-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36
- WGK Germany
- 3 · 3
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)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- wgk
- 3
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- Hazard statements
- H315-H335-H319
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Applications
Uses4-Oxatetradecanoic acid is an analog of myristate that inhibits HIV replication.
Suppliers
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Related reactions
1 records
Compound notes
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