CAS 21573-69-3 1-Phenylcyclopentane-1-carbaldehyde (HCID 11095124)

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Basic information

CAS: 21573-69-3
Standard SMILES: O=CC1(c2ccccc2)CCCC1
InChIKey: KZCVVVIPPHGCOH-UHFFFAOYSA-N
Molecular formula: C12H14O
Average molar mass: 174.24 g/mol
Monoisotopic mass: 174.10446507

Names & identifiers

Preferred name: 1-Phenylcyclopentane-1-carbaldehyde
IUPAC: 1-phenylcyclopentane-1-carbaldehyde
English name: 1-Phenylcyclopentanecarboxaldehyde
Molecular formula: C12H14O
Molecular weight: 174.24

Names & synonyms

1-phenylcyclopentane-1-carbaldehydeRefChem:435692975-678-21-phenylcyclopentanecarbaldehyde21573-69-31-PhenylcyclopentanecarboxaldehydeMFCD11040233Cyclopentanecarboxaldehyde, 1-phenyl-1-Phenyl-cyclopentanecarbaldehydeSCHEMBL1152247SCHEMBL7450867DTXSID40454967

Show more names

1-PhenylcyclopentanecarboxyaldehydeCyclopentanecarboxaldehyde,1-phenyl-

KZCVVVIPPHGCOH-UHFFFAOYSA-N1-Phenylcyclopentane CarboxaldehydeWAA573691-phenyl-1-cyclopentanecarboxaldehyde1-phenyl-cyclopentane-1-carbaldehydeAKOS006307809AS-38280SY240850

Database identifiers

CAS: 21573-69-3
PubChem CID: 11095124
DTXSID: DTXSID40454967
EC Number: 975-678-2
Nikkaji: J83.083F

Properties

Computed structural properties

XLogP: 2.7
Topological polar surface area: 17.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 2
Heavy atoms: 13
Formal charge: 0
Complexity: 174

Physicochemical properties

Boiling point: 134 ℃ · 134℃ (15 Torr)
Density: 1.103 · 1.103±0.06 g/cm3 (20 ºC 760 Torr)
Flash point: 95.9 · 95.9±14.0℃
storage temp.: -20 °C · Inert atmosphere,Store in freezer, under -20°C

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

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

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