Methyl 2-(4-benzyloxyphenyl)acetate

HCID 2756645CAS 68641-16-7
Substructure searchFind similar structures

Basic information

Standard SMILES
COC(=O)Cc1ccc(OCc2ccccc2)cc1
InChIKey
OUWFDISHMBDYON-UHFFFAOYSA-N
Molecular formula
C16H16O3
Average molar mass
256.3 g/mol
Monoisotopic mass
256.10994437

Names & identifiers

Preferred name
Methyl 2-(4-benzyloxyphenyl)acetate
IUPAC
methyl 2-(4-phenylmethoxyphenyl)acetate
English name
4-BENZYLOXYPHENYLACETIC ACID METHYL ESTER
Molecular formula
C16H16O3
Molecular weight
256.3

Names & synonyms

methyl 2-(4-benzyloxyphenyl)acetateRefChem:813465660-170-268641-16-7methyl 2-(4-(benzyloxy)phenyl)acetateMethyl 4-benzyloxyphenylacetate4-Benzyloxyphenylacetic acid methyl estermethyl 2-(4-phenylmethoxyphenyl)acetatemethyl 4-(benzyloxy)phenylacetateMFCD00157061methyl 2-[4-(benzyloxy)phenyl]acetateMethyl4-benzyloxyphenylacetate
Show more names
4-Benzyloxyphenylacetic Acid Methyl Ester,>97%Benzeneacetic acid, 4-(phenylmethoxy)-, methyl ester
methyl [4-(benzyloxy)phenyl]acetate4-(benzyloxyphenyl)acetic acid methyl ester(4-benzyloxy-phenyl)-acetic acid methyl esterSCHEMBL392863SCHEMBL11372251DTXSID60373464methyl (4-benzyloxyphenyl)acetateMethyl 4-(benzyloxyphenyl)acetate

Database identifiers

CAS
68641-16-7
PubChem CID
2756645
DTXSID
DTXSID60373464
EC Number
660-170-2
Nikkaji
J1.886.302B

Properties

Computed structural properties

XLogP
3
Topological polar surface area
35.5 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
6
Heavy atoms
19

Physicochemical properties

Melting point
53 °C · 53 °C
Boiling point
375 · 375.0±22.0 °C(Predicted)
Density
1.129 · 1.129±0.06 g/cm3(Predicted)
storage temp.
Sealed in dry,Room Temperature
Appearance
White to light yellow Solid
CAS DataBase Reference
68641 · 68641-16-7(CAS DataBase Reference)

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H400 (97.4%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]

P273, P391, 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.

Hazard information

Hazard Classes and CategoriesAquatic Acute 1 (97.4%)

Safety data

Signal word
Warning
Symbol(GHS)
GHS09
Hazard statements
H400
Precautionary statements
P273-P391-P501

Chemistry & industry

Upstream & downstream products

Downstream products

Suppliers50 total

上海衡新化工科技有限公司13917104483; 13917104483 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
河南赢创生物科技有限公司16650615803 · [email protected]
苏州市森菲达化工有限公司18796480002 18796480002 · [email protected]
山东利腾生物科技有限公司+86-18663721413 +86-15552573001 · [email protected]

Related reactions

37 records
New reaction record

Linked notes

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