4-Ethylguaiacol-d5

CAT: 0572-TRC-E678722-50MGSize: 50 mgDry Ice: NoHazardous: No

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CAT#:0572-TRC-E678722-50MGSize:50 mg

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CAS Number

1219803-12-9

Synonyms

4-(Ethyl-d5)-2-methoxyphenol; 2-Methoxy-4-(pentadeuteroethyl)phenol; 4-Ethylguaiacol-d5; 4-Hydroxy-3-methoxyethylbenzene-d5; 4-Hydroxy-3-methoxyphenylethane-1,1,2,2,2-d5; 4-Ethyl-2-methoxyphenol-D5 (ethyl-D5)

Hazard Statement

Causes skin irritation.

Purity

>95% (HPLC)

Smiles

[2H]C([2H])([2H])C([2H])([2H])c1ccc(O)c(OC)c1

Molecular Formula

C9 2H5 H7 O2

Molecular Weight

157.22

InChI

InChI=1S/C9H12O2/c1-3-7-4-5-8(10)9(6-7)11-2/h4-6,10H,3H2,1-2H3/i1D3,3D2

Additionnal Information

IUPAC name: 2-methoxy-4-(1,1,2,2,2-pentadeuterioethyl)phenol

Shipping Conditions

Room Temperature

Storage Conditions

+4°C

Chemical Information

4-Ethylguaiacol-d5

See also: 4-Ethylguaiacol (annotation moved to).

CAS Number	1219803-12-9
PubChem CID	121493655
IUPAC Name	2-methoxy-4-(1,1,2,2,2-pentadeuterioethyl)phenol
Molecular Formula	C9H12O2
Molecular Weight	157.22
XLogP	1.7
Topological Polar Surface Area	29.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Heavy Atom Count	11
Formal Charge	0
Complexity	114

SMILES

[2H]C([2H])([2H])C([2H])([2H])C1=CC(=C(C=C1)O)OC

InChI

InChI=1S/C9H12O2/c1-3-7-4-5-8(10)9(6-7)11-2/h4-6,10H,3H2,1-2H3/i1D3,3D2

InChIKey

CHWNEIVBYREQRF-WNWXXORZSA-N

Chemical Structure

2D Structure

CAS: 1219803-12-9

CID: 121493655

Formula: C9H12O2

MW: 157.22

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	157.22
XLogP3	1.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	157.115113351
Monoisotopic Mass	157.115113351
Topological Polar Surface Area	29.5 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	114
Isotope Atom Count	5
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Alternative Products

Catalog	Name
161376	4-Ethylguaiacol-d5
161375-01	4-Ethylguaiacol
45367048	4-Ethyl-2-methoxyphenol (4-Ethylguaiacol)
MBS6047499-01	4'-Methoxyacetophenone-d5 (4-Acetylanisole-d5)
M3200-10	4’-Methoxyacetophenone-d5 (4-Acetylanisole-d5)
CS-O-14387	Atorvastatin-d5 Lactone (4-phenyl-d5)
HY-W012836S-01	4-Ethylphenol-d5
HY-124265S1-01	4β-Hydroxycholesterol-d5
TMID-0181-01	4-Nonylphenol-d5
HY-N11635S	δ-4-tibolone-d5

4-Ethylguaiacol-d5

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