CAS 20257-95-8 Methyl 8-hydroxyoctanoate (HCID 554055)

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Basic information

CAS: 20257-95-8
Standard SMILES: COC(=O)CCCCCCCO
InChIKey: ADTIBIOIERBRIB-UHFFFAOYSA-N
Molecular formula: C9H18O3
Average molar mass: 174.24 g/mol
Monoisotopic mass: 174.12559444

Names & identifiers

Preferred name: Methyl 8-hydroxyoctanoate
IUPAC: methyl 8-hydroxyoctanoate
English name: 8-Hydroxyoctanoic acid methyl ester
Molecular formula: C9H18O3
Molecular weight: 174.24

Names & synonyms

Methyl 8-hydroxyoctanoate20257-95-8Octanoic acid, 8-hydroxy-, methyl esterDTXSID00339140RefChem:157750Methyl 8-hydroxyoctanoic acidDTXCID00290222873-896-1ADTIBIOIERBRIB-UHFFFAOYSA-NMFCD328595878-Hydroxyoctanoic acid methyl esterMethyl8-hydroxyoctanoate

Show more names

8-Hydroxycaprylic acid methyl ester

Methyl-8-hydroxy-octanoateMethyl 8-hydroxyoctanoate #SCHEMBL2563091SCHEMBL72978498-hydroxy-octanoic acid-methyl esterSY296010E86282EN300-25095901

Database identifiers

CAS: 20257-95-8
PubChem CID: 554055
DTXSID: DTXSID00339140
EC Number: 873-896-1
Nikkaji: J140.300A

Properties

Computed structural properties

XLogP: 1.5
Topological polar surface area: 46.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 8
Heavy atoms: 12
Formal charge: 0
Complexity: 112

Physicochemical properties

Boiling point: 239.4 · 239.4±23.0 °C(Predicted)
Density: 0.978 · 0.978±0.06 g/cm3(Predicted)
pka: 15.18 · 15.18±0.10(Predicted)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 319 · H319-H335-H315
Precautionary statements: 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P

Safety & regulation

GHS classification

GHS Classification · 4 items

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: H319-H335-H315
Precautionary statements: P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P