Benzeneheptanol

HCID 154271

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Basic information

CAS: 3208-25-1
Standard SMILES: OCCCCCCCc1ccccc1
InChIKey: UXMUSYTXSNVRMW-UHFFFAOYSA-N
Molecular formula: C13H20O
Average molar mass: 192.3 g/mol
Monoisotopic mass: 192.15141526

Names & identifiers

Preferred name: Benzeneheptanol
IUPAC: 7-phenylheptan-1-ol
English name: 7-Phenyl-1-heptanol
Molecular formula: C13H20O
Molecular weight: 192.3

Names & synonyms

3208-25-1BenzeneheptanolDTXSID60185882RefChem:563238DTXCID001083737-phenylheptan-1-ol7-PHENYL-1-HEPTANOLMFCD000373157-phenylheptyl alcohol7-phenylheptanolphenylheptyl alcohol7-Phenyl-n-heptanol

Show more names

7-Prenyl-1-heptanol7-Phenylheptane-1-ol

SCHEMBL405974SCHEMBL999365SCHEMBL3587337SCHEMBL4469893SCHEMBL28051937ALBB-025078SBB072190AKOS015998308

Database identifiers

CAS: 3208-25-1
PubChem CID: 154271
DTXSID: DTXSID60185882
EC Number: 106-785-7
Nikkaji: J155.094B

Properties

Computed structural properties

XLogP: 4.5
Topological polar surface area: 20.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 7
Heavy atoms: 14
Formal charge: 0
Complexity: 116

Experimental & physicochemical properties

LogP3.59

Physicochemical properties

Boiling point: 115 · 115-117°C 0,5mm
Density: 0 · 0,962 g/cm3
refractive index: 1.508 · 1.5080
Flash point: 115 · 115-117°C/0.5mm
pka: 15.19 · 15.19±0.10(Predicted)
BRN: 1865431 · 1865431
Stability: Stable. Combustible. Incompatible with strong oxidizing agents.
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-P332+P313-P337+P313-P362-P403+P233-P405-P501
Safety Statements: 24 · 24/25

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

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

P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

Signal word: Warning
Symbol(GHS): GHS07
safety_code: 24/25
Hazard statements: H315-H319-H335
Precautionary statements: P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P332+P313-P337+P313-P362-P403+P233-P405-P501