CAS 67387-76-2 3-Cyclopentyloxy-4-methoxybenzaldehyde (HCID 2735893)

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Basic information

CAS: 67387-76-2
Standard SMILES: COc1ccc(C=O)cc1OC1CCCC1
InChIKey: FZFWPURYSWKIRT-UHFFFAOYSA-N
Molecular formula: C13H16O3
Average molar mass: 220.26 g/mol
Monoisotopic mass: 220.10994437

Overview

structure in first source

Names & identifiers

Preferred name: 3-Cyclopentyloxy-4-methoxybenzaldehyde
IUPAC: 3-cyclopentyloxy-4-methoxybenzaldehyde
English name: 3-CYCLOPENTYLOXY-4-METHOXYBENZALDEHYDE
Molecular formula: C13H16O3
Molecular weight: 220.26

Names & synonyms

3-cyclopentyloxy-4-methoxybenzaldehydeRefChem:9112553-(Cyclopentyloxy)-4-methoxybenzaldehyde67387-76-2GEBR-7bMFCD006731363-Cyclopentyloxy-4-methoxy-benzaldehyde2-(Cyclopentyloxy)-4-formylanisole3-cyclopentyloxy-4-methoxybenzylaldehydeGEBR 7b,GEBR7bOprea1_216715SCHEMBL70835

Show more names

Benzaldehyde, 3-(cyclopentyloxy)-4-methoxy-2-(Cyclopentyloxy)-4-formylanisole, (5-Formyl-2-methoxyphenoxy)cyclopentane

orb1306834orb1940576SCHEMBL7338297SCHEMBL29808190GEBR-7b, 10 mM in DMSODTXSID60371006FZFWPURYSWKIRT-UHFFFAOYSA-NCS-B1511

Database identifiers

CAS: 67387-76-2
PubChem CID: 2735893
DTXSID: DTXSID60371006
EC Number: 809-475-6
Nikkaji: J1.026.910E

Properties

Computed structural properties

XLogP: 2.6
Topological polar surface area: 35.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 4
Heavy atoms: 16
Formal charge: 0
Complexity: 223

Physicochemical properties

Melting point: 107 · 107-110℃ (ethyl acetate )
Boiling point: 124 · 124-126°C
Density: 1.136 · 1.136±0.06 g/cm3 (20 ºC 760 Torr)
storage temp.: 2 · 2-8°C, stored under nitrogen
Appearance: Light yellow to yellow Liquid
CAS DataBase Reference: 67387 · 67387-76-2(CAS DataBase Reference)
Symbol(GHS): 6 · GHS06,GHS07
Signal word: Danger
Hazard statements: 301 · H301-H315-H319
Precautionary statements: 501 · P501-P270-P264-P280-P337+P313-P305+P351+P338-P302+P352-P332+P313-P362-P301+P310+P330-P405
Hazard Codes: Xi,Xn
Risk Statements: 36 · 36/37/38-22
Safety Statements: 26 · 26-37/39-36/37/39
Hazard Note: Irritant
HS Code

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H301 (97.4%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P316, 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)

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 CategoriesAcute Tox. 3 (97.4%)

Safety data

hs_code: 2912490090
risk_code: 36/37/38-22
Signal word: Danger
Symbol(GHS): GHS06,GHS07
hazard_code: Xi,Xn
hazard_note: Irritant
safety_code: 26-37/39-36/37/39
Hazard statements: H301-H315-H319
Precautionary statements: P501-P270-P264-P280-P337+P313-P305+P351+P338-P302+P352-P332+P313-P362-P301+P310+P330-P405