4-(3-Butyn-1-yl)benzenemethanol

HCID 23596609
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Basic information

CAS
690264-16-5
Standard SMILES
C#CCCc1ccc(CO)cc1
InChIKey
DIXFBKMHPRWHAT-UHFFFAOYSA-N
Molecular formula
C11H12O
Average molar mass
160.21 g/mol
Monoisotopic mass
160.088815

Names & identifiers

Preferred name
4-(3-Butyn-1-yl)benzenemethanol
IUPAC
(4-but-3-ynylphenyl)methanol

Names & synonyms

[4-(but-3-yn-1-yl)phenyl]methanol690264-16-5(4-(But-3-yn-1-yl)phenyl)methanol4-(3-Butyn-1-yl)benzenemethanolDTXSID801304324RefChem:513117DTXCID301734342834-883-6(4-but-3-ynyl-phenyl)-methanol(4-but-3-ynylphenyl)methanolSCHEMBL4518091DIXFBKMHPRWHAT-UHFFFAOYSA-N
Show more names
QCB26416CS-0312402EN300-177072A1-21568

Database identifiers

CAS
690264-16-5
PubChem CID
23596609
DTXSID
DTXSID801304324
EC Number
834-883-6

Properties

Computed structural properties

XLogP
1.9
Topological polar surface area
20.2 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
1
Rotatable bonds
3
Heavy atoms
12

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+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%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)

Related reactions

6 records
New reaction record

Compound notes

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