4-Pentylphenol

HCID 26975

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Basic information

CAS: 14938-35-3
Standard SMILES: CCCCCc1ccc(O)cc1
InChIKey: ZNPSUQQXTRRSBM-UHFFFAOYSA-N
Molecular formula: C11H16O
Average molar mass: 164.248 g/mol
Monoisotopic mass: 164.12011513

Names & identifiers

Preferred name: 4-Pentylphenol
IUPAC: 4-Pentylphenol
English name: 4-Pentylphenol
Molecular formula: C11H16O
Molecular weight: 164.24

Names & synonyms

P-N-PENTYLPHENOL5POp-Amylphenol4-AMYLPHENOL4-pentyl-pheno4-N-AMYLPHENOLP-PENTYLPHENOLp-pentyl-pheno4-PentylphenolP-N-AMYL PHENOL

Database identifiers

CAS: 14938-35-3
PubChem CID: 26975
DTXSID: DTXSID9044164
ChEMBL: CHEMBL153388
ChEBI: CHEBI:34441
UNII: 40069Q368Q
EC Number: 239-015-4
Nikkaji: J34.565B

Properties

Physicochemical properties

Melting point: 23 · 23-25 °C
Boiling point: 342 °C · 342 °C
Density: 0.96 g/mL · 0.960 g/mL at 20 °C (lit.)
vapor density: 5.66 · 5.66
refractive index: 20 · n20/D 1.515
Flash point: 133 °C · 133 °C
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
solubility: Chloroform (Slightly), Methanol (Slightly)
pka: 10.26 · 10.26±0.13(Predicted)
form: A liquid
Specific Gravity: 0.966 · 0.966
color: White or Colorless to Light yellow
Water Solubility: 99.99 mg/L · 99.99mg/L(25 ºC)
BRN: 1364424 · 1364424
InChI: 1S/C11H16O/c1-2-3-4-5-10-6-8-11(12)9-7-10/h6-9,12H,2-5H2,1H3
InChIKey: ZNPSUQQXTRRSBM-UHFFFAOYSA-N
SMILES: CCCCCc1ccc(O)cc1
CAS DataBase Reference: 14938 · 14938-35-3(CAS DataBase Reference)
EWG's Food Scores: 1 · 1
FDA UNII: 40069 Q368Q · 40069Q368Q
NIST Chemistry Reference: P-n-amyl phenol(14938-35-3)
EPA Substance Registry System: 4 · 4-Pentylphenol (14938-35-3)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 6 · GHS06,GHS09
Signal word: Danger
Hazard statements: 301 · H301-H315-H319-H411
Precautionary statements: 264 · P264-P270-P273-P301+P310-P302+P352-P305+P351+P338
PPE: 3 · Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
Hazard Codes: C
Risk Statements: 34 · 34
Safety Statements: 26 · 26-36/37/39-45
RIDADR: 2430 · UN 2430 8/PG 1
WGK Germany: 3 · 3
RTECS: 6750000 · SM6750000
TSCA: TSCA listed
HazardClass: 8 · 8
PackingGroup: III
HS Code: 29071990 · 29071990
Storage Class: 6.1 C · 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
Hazard Classifications: 3 OralAquatic · Acute Tox. 3 OralAquatic Chronic 2Eye Irrit. 2Skin Irrit. 2

Safety & regulation

Safety data

PPE: Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
wgk: 3
tsca: TSCA listed
rtecs: SM6750000
ridadr: UN 2430 8/PG 1
hs_code: 29071990
risk_code: 34
Signal word: Danger
Symbol(GHS): GHS06,GHS09
hazard_code: C
safety_code: 26-36/37/39-45
hazard_class: 8
Storage Class: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
packing_group: III
Hazard statements: H301-H315-H319-H411
Hazard Classifications: Acute Tox. 3 OralAquatic Chronic 2Eye Irrit. 2Skin Irrit. 2
Precautionary statements: P264-P270-P273-P301+P310-P302+P352-P305+P351+P338