2-Methoxy-2-phenylethanol - CAS 2979-22-8

Name: 2-Methoxy-2-phenylethanol
Brand: BOC Sciences
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Catalog:	BB020324
Product Name:	2-Methoxy-2-phenylethanol
CAS:	2979-22-8
Synonyms:	2-methoxy-2-phenylethanol

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Computed Properties

IUPAC Name:	2-methoxy-2-phenylethanol
Description:	2-Methoxy-2-phenylethanol (CAS# 2979-22-8) is a useful research chemical compound.
Molecular Weight:	152.19
Molecular Formula:	C9H12O2
Canonical SMILES:	COC(CO)C1=CC=CC=C1
InChI:	InChI=1S/C9H12O2/c1-11-9(7-10)8-5-3-2-4-6-8/h2-6,9-10H,7H2,1H3
InChI Key:	JDTUPLBMGDDPJS-UHFFFAOYSA-N
Boiling Point:	239.9 °C at 760 mmHg
Density:	1.061 g/cm³
Appearance:	Colorless liquid
MDL:	MFCD00075063
LogP:	1.36640

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Related Functional Groups

Oxygen Compounds

[544-62-7]C21H44O3
Batyl alcohol
[77987-49-6]C10H13NO3
Z-Glycinol
[52378-69-5]C13H19O3P
Diethyl trans-cinnamylphosphonate
[1263034-11-2]C38H53N3O2
[(2-Azido-3-hexadecoxypropoxy)-diphenylmethyl]benzene
[1035840-45-9]C14H16N2O4
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid
[865774-78-3]C16H21F2NO2
2-(6,8-difluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-pentanoic acid methyl ester

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
WO-2021160670-A1	3'-ketoglycoside compound for the slow release of a volatile alcohol	20200213
WO-2021123144-A1	Pro-perfume compositions	20191220
WO-2021076526-A1	Methods and compositions for reducing odor and biofilm	20191013
US-2021009922-A1	Methods and compositions for reducing persistent odor in clothing and mitigating biofilms	20190710
US-2021032570-A1	Methods and compositions for reducing persistent odor in clothing and mitigating biofilms on various materials	20190710

Complexity:	97.7
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	152.083729621
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	152.083729621
Rotatable Bond Count:	3
Topological Polar Surface Area:	29.5 Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	0.9