3-Propoxybenzaldehyde

HCID 2760469

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 67698-61-7
Standard SMILES: CCCOc1cccc(C=O)c1
InChIKey: GFFJBSXKNZDYOJ-UHFFFAOYSA-N
Molecular formula: C10H12O2
Average molar mass: 164.2 g/mol
Monoisotopic mass: 164.08372962

Names & identifiers

Preferred name: 3-Propoxybenzaldehyde
IUPAC: 3-propoxybenzaldehyde
English name: 3-PROPOXYBENZALDEHYDE
Molecular formula: C10H12O2
Molecular weight: 164.2

Names & synonyms

3-propoxybenzaldehyde67698-61-7DTXSID70375176RefChem:281940DTXCID30326205MFCD019936793-n-PropoxybenzaldehydeSBB009935Benzaldehyde, 3-propoxy-3-propyloxybenzaldehyde3-(propoxy)benzaldehyde3-propyloxy benzaldehyde

Show more names

ZINC02576199OTAVA-BB BB70204017393-propoxybenzenemethylaldehyde

ASISCHEM V43232SCHEMBL910595SCHEMBL9105963-n-Propoxybenzaldehyde, 95%SCHEMBL29955687TIMTEC-BB SBB0099353-Propoxybenzaldehyde, AldrichCPRAKOS B000272

Database identifiers

CAS: 67698-61-7
PubChem CID: 2760469
DTXSID: DTXSID70375176
EC Number: 672-095-2
Nikkaji: J1.206.743G

Properties

Computed structural properties

XLogP: 2.4
Topological polar surface area: 26.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 4
Heavy atoms: 12
Formal charge: 0
Complexity: 134

Physicochemical properties

Sensitive: Air Sensitive
CAS DataBase Reference: 67698 · 67698-61-7
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Hazard Codes: Xi
Risk Statements: 43 · 43
Safety Statements: 36 · 36/37
HazardClass: IRRITANT
HS Code: 2913000090 · 2913000090

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

GHS classification

GHS Classification · 5 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]；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, P317, 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.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)；Acute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；Acute Tox. 4 (100%)；STOT SE 3 (100%)

Safety data

hs_code: 2913000090
risk_code: 43
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 36/37
hazard_class: IRRITANT
Hazard statements: H315-H319-H335
Precautionary statements: P261-P280a-P304+P340-P305+P351+P338-P405-P501a

Chemistry & industry

Suppliers31 total

郑州阿尔法化工有限公司+86-18530059196 · [email protected]

陕西缔都新材料有限公司81124267 17392282731 · [email protected]

Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]

上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]

Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]

Related reactions

24 records

New reaction record

HRID 281209As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 587001As productuspto-grants-2005_08

HRID 587002As reactantuspto-grants-2005_08

HRID 664100As productTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

HRID 959809As productValidation data from https://doi.org/10.1039/C8SC04228D

HRID 1169487As reactantuspto-grants-2003_09

HRID 1169493As reactantuspto-grants-2003_09

HRID 1224909As productTraining data from https://doi.org/10.1039/C8SC04228D (5/10)

Compound notes

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