4-[2-(Cyclopropylmethoxy)ethyl]phenol

HCID 11052481CAS 63659-16-5
Substructure searchFind similar structures

Basic information

Standard SMILES
Oc1ccc(CCOCC2CC2)cc1
InChIKey
WNEQFDSWDCYKOE-UHFFFAOYSA-N
Molecular formula
C12H16O2
Average molar mass
192.25 g/mol
Monoisotopic mass
192.11502975

Names & identifiers

Preferred name
4-[2-(Cyclopropylmethoxy)ethyl]phenol
IUPAC
4-[2-(cyclopropylmethoxy)ethyl]phenol
English name
4-[2-(CYCLOPROPYLMETHOXY)ETHYL]PHENOL
Molecular formula
C12H16O2
Molecular weight
192.25

Names & synonyms

63659-16-54-[2-(cyclopropylmethoxy)ethyl]phenol4-(2-(Cyclopropylmethoxy)ethyl)phenolQU56QY6BBBPhenol, 4-(2-(cyclopropylmethoxy)ethyl)-Phenol, 4-[2-(cyclopropylmethoxy)ethyl]-DTXSID20453413Betaxolol hydrochloride impurity D [EP]BETAXOLOL HYDROCHLORIDE IMPURITY D [EP IMPURITY]BETAXOLOL HYDROCHLORIDE IMPURITY D (EP IMPURITY)RefChem:97012DTXCID10404232
Show more names
Betaxolol IMp. D (EP)4-[2-(Cyclopropylmethoxy)ethyl]phenBetaxolol Hydrochloride EP Impurity DBetaxolol Impurity 4(Betaxolol EP Impurity D)
Betaxolol hydrochloride impurity D440-910-9613-309-6917-869-5Betaxolol EP Impurity DMFCD07787504Betaxolol Hydrochloride Imp. D (EP); Betaxolol Imp. D (EP); 4-[2-(Cyclopropylmethoxy)ethyl]phenol; Betaxolol Hydrochloride Impurity D; Betaxolol Impurity DUNII-QU56QY6BBB

Database identifiers

CAS
63659-16-5
PubChem CID
11052481
DTXSID
DTXSID20453413
UNII
QU56QY6BBB
EC Number
440-910-9、613-309-6、917-869-5
Nikkaji
J2.562.992B

Properties

Computed structural properties

XLogP
2.4
Topological polar surface area
29.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
5
Heavy atoms
14

Experimental & physicochemical properties

LogP3.0

Physicochemical properties

Boiling point
304.4 · 304.4±17.0 °C(Predicted)
Density
1.112 · 1.112±0.06 g/cm3(Predicted)
storage temp.
Refrigerator
solubility
Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
form
Colourless to Light Yellow Oil to Semi-Solid
pka
10.01 · 10.01±0.15(Predicted)

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302+H312+H332 (50%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P321, P330, P337+P317, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory InformationStatus: Active Update: 10-11-2008 https://echa.europa.eu/registration-dossier/-/registered-dossier/3566

Safety data

Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H302-H315-H319-H335
Precautionary statements
P261-P280-P301+P312-P302+P352-P305+P351+P338

Chemistry & industry

Applications

Uses4-[2-(Cyclopropylmethoxy)ethyl]phenol (Betaxolol EP Impurity D) is an intermediate for the synthesis of Betaxolol.

Upstream & downstream products

Suppliers50 total

上海策嵘生物科技有限公司[email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
济南百隆化学有限公司[email protected] · [email protected]
艾吉析科技（上海）有限公司17717235263 · [email protected]
广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]

Related reactions

4 records
New reaction record

Linked notes

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