CAS 70160-05-3 5-methoxypentanoic Acid (HCID 285825)

Substructure search Find similar structures

Basic information

CAS: 70160-05-3
Standard SMILES: COCCCCC(=O)O
InChIKey: FECCQKBXUJUGSF-UHFFFAOYSA-N
Molecular formula: C6H12O3
Average molar mass: 132.16 g/mol
Monoisotopic mass: 132.07864424

Names & identifiers

Preferred name: 5-methoxypentanoic Acid
IUPAC: 5-methoxypentanoic acid
English name: 5-Methoxypentanoic acid
Molecular formula: C6H12O3
Molecular weight: 132.16

Names & synonyms

5-methoxypentanoic Acid70160-05-3DTXSID50301433RefChem:303858DTXCID00252567836-358-7Pentanoic acid, 5-methoxy-5-methoxy-pentanoic acid5-methoxyvaleric acidSCHEMBL188514SCHEMBL212237SCHEMBL2282554

Show more names

Caprylic Acid Impurity 41

SCHEMBL5167406SCHEMBL7147253SCHEMBL9451916SCHEMBL27502288SCHEMBL27951044FECCQKBXUJUGSF-UHFFFAOYSA-NVCA16005MFCD09759048

Database identifiers

CAS: 70160-05-3
PubChem CID: 285825
DTXSID: DTXSID50301433
EC Number: 836-358-7

Properties

Computed structural properties

XLogP: 0.4
Topological polar surface area: 46.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 5
Heavy atoms: 9
Formal charge: 0
Complexity: 80.4

Physicochemical properties

storage temp.: 4 °C, · 4°C, Inert atmosphere
solubility: Chloroform (Sparingly), Methanol (Slightly)
form: Oil
color: Colourless
Symbol(GHS): 7 · GHS07,GHS05
Signal word: Danger
Hazard statements: 335 · H335-H315-H318
Precautionary statements: 280 · P280-P305+P351+P338-P310-P264-P280-P302+P352-P321-P332+P313-P362

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 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

Signal word: Danger
Symbol(GHS): GHS07,GHS05
Hazard statements: H335-H315-H318
Precautionary statements: P280-P305+P351+P338-P310-P264-P280-P302+P352-P321-P332+P313-P362