 Home > Encyclopedia > 2-Benzylpropionicacid

2-Benzylpropionicacid

2-Benzylpropionicacid structure

CAS No:
1009-67-2
Formula:
C10H12O2
Chemical Name:
2-Benzylpropionicacid
Synonyms:
2-Benzylpropionicacid;2-Benzylpropanoicacid;α-methylhydrocinnamicacid;a-Methylhydrocinnamicacid;a-Methyldihydrocinnamicacid;alfa-Methylhydrocinnamicacid;α-Methylbenzenepropionicacid;alpha-Methylhydrocinnamicacid;1-METHYL-2-PHENYLPROPIONICACID;2-Methyl-3-phenylpropanoicacid
Categories:
Chemical Reagents > Organic Reagents

Request for Quotation

2-Benzylpropionicacid Basic Attributes

Molecular Weight：

164.2

Exact Mass：

164.08400

NSC Number：

243716

Characteristics

PSA：

37.30000

XLogP3：

1.94980

Appearance：

White to light yellow Crystalline Powder or Crystals

Density：

1.065 g/mL at 25ºC(lit.)

Melting Point：

39-41 °C(lit.)

Boiling Point：

167-168 °C23 mm Hg(lit.)

Flash Point：

>230 °F

Refractive Index：

1.5155 (estimate)

Storage Conditions：

Keep tightly closed. Store in a cool dry place.

Vapor Pressure：

0.00305mmHg at 25°C

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

36/37/38

safety instructions：

26-36

Marks：

Stability/Shelf Life：

Stable at normal temperatures and pressures.

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H315-H319-H335

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 39 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

alpha-methylhydrocinnamate

2-Benzylpropionicacid Use and Manufacturing

α-Methylhydrocinnamic acid is suitable for use in the comparative study to investigate the γ-globin inducibility of short-chain fatty acid derivatives (SCFADs) in mice. 1 It may be used as a histone deacetylase (HDAC) inhibitor in the comparative study to investigate the EGFP-induction potency of a number of HDAC inhibitors. 2 It may be used in the study to investigate the selectivity of the sensor based on imprinted poly( o -phenylenediamine) (iPoPD).

Computed Properties

Molecular Weight:164.20
XLogP3:2.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:164.083729621
Monoisotopic Mass:164.083729621
Topological Polar Surface Area:37.3
Heavy Atom Count:12
Complexity:148
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes