CAS 76343-98-1 (2-Sec-butylphenoxy)acetic acid (HCID 3365714)

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Basic information

CAS: 76343-98-1
Standard SMILES: CCC(C)c1ccccc1OCC(=O)O
InChIKey: JHXIYIRARDDHJU-UHFFFAOYSA-N
Molecular formula: C12H16O3
Average molar mass: 208.25 g/mol
Monoisotopic mass: 208.10994437

Names & identifiers

Preferred name: (2-Sec-butylphenoxy)acetic acid
IUPAC: 2-(2-butan-2-ylphenoxy)acetic acid
English name: (2-SEC-BUTYLPHENOXY)ACETIC ACID
Molecular formula: C12H16O3
Molecular weight: 208.25

Names & synonyms

76343-98-1(2-sec-butylphenoxy)acetic acid2-(2-(sec-Butyl)phenoxy)acetic acid2-[2-(sec-butyl)phenoxy]acetic acid2-(2-butan-2-ylphenoxy)acetic acidAcetic acid,2-[2-(1-methylpropyl)phenoxy]-MFCD002681652-[2-(butan-2-yl)phenoxy]acetic acid[2-(butan-2-yl)phenoxy]acetic acid2-[2-(methylpropyl)phenoxy]acetic acidOprea1_433234AN-329/41877368

Show more names

2-(2, 4-dchlorophenoxy) acetic acid2-[2-(1-Methylpropyl)phenoxy]acetic acidAcetic acid, 2-[2-(1-methylpropyl)phenoxy]-(2-sec-butylphenoxy)acetic acid(SALTDATA: FREE)

SCHEMBL4575987DTXSID60391845JHXIYIRARDDHJU-UHFFFAOYSA-N(2-sec-butyl-phenoxy)-acetic acid2-(2-sec-butylphenoxy)acetic acidBDA343982-(2-(sec-Butyl)phenoxy)aceticacidSBB079957

Database identifiers

CAS: 76343-98-1
PubChem CID: 3365714
DTXSID: DTXSID60391845
Nikkaji: J1.586.971B

Properties

Computed structural properties

XLogP: 3.3
Topological polar surface area: 46.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 5
Heavy atoms: 15
Formal charge: 0
Complexity: 203

Physicochemical properties

Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P313-P337+P313-P362-P403+P233-P405-P501

Safety & regulation

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H315-H319-H335
Precautionary statements: P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P313-P337+P313-P362-P403+P233-P405-P501