4-Phenoxybutan-1-ol

HCID 219683

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Basic information

CAS: 1927-71-5
Standard SMILES: OCCCCOc1ccccc1
InChIKey: OYQUCYCSSADEIC-UHFFFAOYSA-N
Molecular formula: C10H14O2
Average molar mass: 166.22 g/mol
Monoisotopic mass: 166.09937969

Names & identifiers

Preferred name: 4-Phenoxybutan-1-ol
IUPAC: 4-phenoxybutan-1-ol
English name: 4-Phenoxybutan-1-ol
Molecular formula: C10H14O2
Molecular weight: 166.22

Names & synonyms

4-phenoxybutan-1-olDTXSID3094094053051-65-3RefChem:526284DTXCID401369392DTXSID701340804Poly(oxytetramethylene), phenyl etherPoly(oxy-1,4-butanediyl), alpha-phenyl-omega-hydroxy-Poly(oxy-1,4-butanediyl), .alpha.-phenyl-.omega.-hydroxy-817-073-74-PHENOXY-1-BUTANOL1927-71-5

Show more names

1-Butanol, 4-phenoxy-4-phenoxybutanolMFCD005186293KKS92V46FNSC-1283NSC12834-Phenoxybutyl alcoholUNII-3KKS92V46F

Database identifiers

CAS: 1927-71-5、53051-65-3
PubChem CID: 219683
DTXSID: DTXSID30940940
UNII: 3KKS92V46F
EC Number: 817-073-7
Nikkaji: J954.743F

Properties

Computed structural properties

XLogP: 2.3
Topological polar surface area: 29.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 5
Heavy atoms: 12
Formal charge: 0
Complexity: 98

Physicochemical properties

Melting point: 36 °C · 36 °C
Boiling point: 162 · 162-164 °C(Press: 12 Torr)
Density: 1.0334 g/cm3 · 1.0334 g/cm3
storage temp.: 2 · 2-8°C
pka: 15.07 · 15.07±0.10(Predicted)
FDA UNII: 3 KKS92V46F · 3KKS92V46F
EPA Substance Registry System: 4 · 4-Phenoxy-1-butanol (1927-71-5)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 264 · P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+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 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory InformationFRI - indicates a polymeric substance containing no free-radical initiator in its Inventory name but is considered to cover the designated polymer made with any free-radical initiator regardless of the amount used.

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H302-H315-H319-H335
Precautionary statements: P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P