4-Ethoxymethyl-benzoic acid

HCID 308541
NotesReactions
Substructure searchFind similar structures

Basic information

CAS
146781-28-4
Standard SMILES
CCOCc1ccc(C(=O)O)cc1
InChIKey
XSNKLGMYKSJLHQ-UHFFFAOYSA-N
Molecular formula
C10H12O3
Average molar mass
180.2 g/mol
Monoisotopic mass
180.07864424

Names & identifiers

Preferred name
4-Ethoxymethyl-benzoic acid
IUPAC
4-(ethoxymethyl)benzoic acid
English name
4-ETHOXYMETHYL-BENZOIC ACID
Molecular formula
C10H12O3
Molecular weight
180.2

Names & synonyms

4-(ethoxymethyl)benzoic acid4-Ethoxymethyl-benzoic acid146781-28-4DTXSID80308894RefChem:522684DTXCID40260020683-465-8Benzoic acid, 4-(ethoxymethyl)-MFCD002281864-(ethoxymethyl)benzoicacidSCHEMBL1749635XSNKLGMYKSJLHQ-UHFFFAOYSA-N
Show more names
4-(Ethoxymethyl)Benzyl Benzoate Impurity 38
NSC210358SBB010653AKOS000102381NSC-210358DS-13316FE158334CS-0195990ST50314198

Database identifiers

CAS
146781-28-4
PubChem CID
308541
DTXSID
DTXSID80308894
EC Number
683-465-8
Nikkaji
J3.105.010C

Properties

Computed structural properties

XLogP
1.8
Topological polar surface area
46.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
4
Heavy atoms
13

Physicochemical properties

Boiling point
296.3 · 296.3±23.0 °C(Predicted)
Density
1.143 · 1.143±0.06 g/cm3(Predicted)
storage temp.
Sealed in dry,Room Temperature
pka
4.22 · 4.22±0.10(Predicted)
Symbol(GHS)
7 · GHS07
Signal word
Warning

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

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

P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H302
Precautionary statements
P264-P270-P301+P312-P330-P501

Chemistry & industry

Upstream & downstream products

Suppliers15 total

上海仲因实业有限公司2537653158 16621191650 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
山东沃德森生物科技有限公司0531-88723173 18596073690 · [email protected]
无锡丽恒昇生物医药科技有限公司15250805028 15250805028 · [email protected]
南京代盟化工有限公司025-66800956 18800000000 · [email protected]

Related reactions

2 records
New reaction record

Compound notes

Loading…