8-Phenyloctan-1-ol

HCID 517850

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Basic information

CAS: 10472-97-6
Standard SMILES: OCCCCCCCCc1ccccc1
InChIKey: MGIGATOGROSKNW-UHFFFAOYSA-N
Molecular formula: C14H22O
Average molar mass: 206.32 g/mol
Monoisotopic mass: 206.16706532

Names & identifiers

Preferred name: 8-Phenyloctan-1-ol
IUPAC: 8-phenyloctan-1-ol
English name: 8-Phenyl-1-octanol
Molecular formula: C14H22O
Molecular weight: 206.32

Names & synonyms

8-phenyloctan-1-ol8-Phenyl-1-octanol10472-97-6Benzeneoctanol8-Phenyl-n-octanol8-phenyloctanolMFCD000409188-phenyloctyl alcoholbenzene-octanolSCHEMBL10058498-Phenyl-1-octanol, 98% (GC)AKOS015840686

Show more names

8-PHENYLOCTANOL 97%

AS-49301SY101162CS-0128423AMY15336A801046SCHEMBL999810SCHEMBL3594353SCHEMBL3597537

Database identifiers

CAS: 10472-97-6
PubChem CID: 517850
DTXSID: DTXSID50333734
EC Number: 802-329-2
Nikkaji: J155.102G

Properties

Computed structural properties

XLogP: 5
Topological polar surface area: 20.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 8
Heavy atoms: 15
Formal charge: 0
Complexity: 127

Physicochemical properties

Boiling point: 126 · 126-128°C 0,2mm
Density: 0.942 g/mL · 0.942 g/mL at 20 °C
refractive index: 1.506 · 1.5060
Flash point: 125 · 125-127°C/0.2mm
storage temp.: 2 · Storage temp. 2-8°C
pka: 15.2 · 15.20±0.10(Predicted)
form: liquid
Appearance: Colorless to light yellow Liquid
Water Solubility: Not miscible or difficult to mix with water.
BRN: 2556146 · 2556146
Stability: Stable. Incompatible with strong oxidizing agents. Combustible.
InChI: InChI=1S/C14H22O/c15-13-9-4-2-1-3-6-10-14-11-7-5-8-12-14/h5,7-8,11-12,15H,1-4,6,9-10,13H2
InChIKey: MGIGATOGROSKNW-UHFFFAOYSA-N
SMILES: C1(CCCCCCCCO)=CC=CC=C1
CAS DataBase Reference: 10472 · 10472-97-6(CAS DataBase Reference)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319
Precautionary statements: 264 · P264-P280-P302+P352-P305+P351+P338-P332+P313-P337+P313
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38-36/38
Safety Statements: 26 · 26-36/37/39
WGK Germany: 3 · 3
Storage Class: 10 · 10 - Combustible liquids
Hazard Classifications: 2 Skin · Eye Irrit. 2Skin Irrit. 2

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

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

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)

Aggregated GHS information provided per 39 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

wgk: 3
risk_code: 36/37/38-36/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 26-36/37/39
Storage Class: 10 - Combustible liquids
Hazard statements: H315-H319
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2
Precautionary statements: P264-P280-P302+P352-P305+P351+P338-P332+P313-P337+P313