2,2-Dimethyl-3-phenylpropionic Acid - CAS 5669-14-7

Name: 2,2-Dimethyl-3-phenylpropionic Acid
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB029466
Product Name:	2,2-Dimethyl-3-phenylpropionic Acid
CAS:	5669-14-7
Synonyms:	2,2-dimethyl-3-phenylpropanoic acid; 2,2-dimethyl-3-phenylpropanoic acid

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	2,2-dimethyl-3-phenylpropanoic acid
Description:	2,2-Dimethyl-3-phenylpropionic Acid (CAS# 5669-14-7) is a useful research chemical.
Molecular Weight:	178.23
Molecular Formula:	C11H14O2
Canonical SMILES:	CC(C)(CC1=CC=CC=C1)C(=O)O
InChI:	InChI=1S/C11H14O2/c1-11(2,10(12)13)8-9-6-4-3-5-7-9/h3-7H,8H2,1-2H3,(H,12,13)
InChI Key:	BQHWATVEWGHHHF-UHFFFAOYSA-N
Boiling Point:	288.3 °C at 760 mmHg
Density:	1.07 g/cm³
LogP:	2.33990

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]C15H22O5S.Na
Sulfophenyl nonanoate sodium salt
[89908-23-6]C23H22N2O5
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[51493-02-8]C5H10ClNO
N-Methyl-N-propylcarbamoyl Chloride
[87-88-7]C6H2Cl2O4
Chloranilic acid
[1427004-19-0]C34H39N3O10
DBCO-PEG4-NHS ester
[17746-05-3]C11H21ClO
Undecanoyl chloride

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
WO-2021133915-A1	Ectonucleotide pyrophosphatase/phosphodiesterase 1 (enpp1) modulators and uses thereof	20191223
WO-2021110273-A1	Encapsulated odorants based on natural amino acids	20191205
WO-2021098950-A1	Home care product or formulation	20191119
WO-2021055630-A1	Substituted, saturated and unsaturated n-heterocyclic carboxamides and related compounds for their use in the treatment of medical disorders	20190917
WO-2021009315-A1	Fragrance mixture containing 1,3-propanediol	20190716

Complexity:	179
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	178.099379685
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	178.099379685
Rotatable Bond Count:	3
Topological Polar Surface Area:	37.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.6