Butoxyacetic acid

HCID 41958

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 2516-93-0
Standard SMILES: CCCCOCC(=O)O
InChIKey: AJQOASGWDCBKCJ-UHFFFAOYSA-N
Molecular formula: C6H12O3
Average molar mass: 132.16 g/mol
Monoisotopic mass: 132.07864424

Overview

Butoxyacetic acid is a carboxylic acid.

Names & identifiers

Preferred name: Butoxyacetic acid
IUPAC: 2-butoxyacetic acid
English name: 2-Butoxyacetic acid
Molecular formula: C6H12O3
Molecular weight: 132.16

Names & synonyms

Butoxyacetic acid2-Butoxyacetic acid2516-93-0n-Butoxyacetic acidAcetic acid, butoxy-DTXSID0050392RefChem:122178DTXCID6029410677-364-8Acetic acid, 2-butoxy-MFCD00067044CCRIS 7195

Show more names

2-Butoxyacetic2-ButoxyaceticaciButoxyacetic Acid >Acetic acid, 2-butoxy-2-Butoxyacetic acid,98%2-Butoxyacetic acid, 99+%

n-ButoxyaceticacidNSC-10980SCHEMBL24207n-butoxyacetic acid, AldrichCPRAJQOASGWDCBKCJ-UHFFFAOYSA-NSC10980CS-11012SY002472

Database identifiers

CAS: 2516-93-0
PubChem CID: 41958
DTXSID: DTXSID0050392
ChEBI: CHEBI:173542
UNII: HYU5VV8C8W
EC Number: 677-364-8
Nikkaji: J254.920D

Properties

Computed structural properties

XLogP: 0.9
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

Melting point: 108 °C · 108°C
Boiling point: 108 °C · 108 °C
Density: 1.01 · 1.01
refractive index: 1.425 · 1.425-1.427
Flash point: 234 °C · 234°C
storage temp.: Sealed in dry,Room Temperature
solubility: Chloroform (Slightly), Methanol (Slightly)
form: Liquid
pka: 3.55 · 3.55±0.10(Predicted)
color: Clear colorless to light yellow
InChI: InChI=1S/C6H12O3/c1-2-3-4-9-5-6(7)8/h2-5H2,1H3,(H,7,8)
InChIKey: AJQOASGWDCBKCJ-UHFFFAOYSA-N
SMILES: C(O)(=O)COCCCC
CAS DataBase Reference: 2516 · 2516-93-0(CAS DataBase Reference)
EPA Substance Registry System: Acetic acid, butoxy- (2516-93-0)
UNSPSC Code: 12352200 · 12352200
Symbol(GHS): 5 · GHS05,GHS07
Signal word: Danger
Hazard statements: 290 · H290-H314-H315-H318-H335
Precautionary statements: 261 · P261-P280a-P304+P340-P305+P351+P338-P501a-P234-P260-P264-P280-P301+P330+P331+P310-P303+P361+P353+P310+P363-P304+P340+P310-P305+P351+P338+P310-P390-P405-P406-P501
Hazard Codes: C
Risk Statements: 34 · 34
Safety Statements: 36 · 36/37/39-45-26
RIDADR: 3265 · 3265
WGK Germany: 3 · WGK 3
HazardClass: 8 · 8
PackingGroup: III
HS Code: 29189900 · 29189900
Storage Class: 8 B · 8B - Non-combustible corrosive hazardous materials
Hazard Classifications: 1 Skin · Met. Corr. 1Skin Corr. 1B

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H290 (87%): May be corrosive to metals [Warning Corrosive to Metals]

P234, P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P390, P405, P406, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 46 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesMet. Corr. 1 (87%)

Safety data

wgk: WGK 3
ridadr: 3265
hs_code: 29189900
risk_code: 34
Signal word: Danger
Symbol(GHS): GHS05,GHS07
hazard_code: C
safety_code: 36/37/39-45-26
hazard_class: 8
Storage Class: 8B - Non-combustible corrosive hazardous materials
packing_group: III
Hazard statements: H290-H314-H315-H318-H335
Hazard Classifications: Met. Corr. 1Skin Corr. 1B
Precautionary statements: P261-P280a-P304+P340-P305+P351+P338-P501a-P234-P260-P264-P280-P301+P330+P331+P310-P303+P361+P353+P310+P363-P304+P340+P310-P305+P351+P338+P310-P390-P405-P406-P501