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(±)-Tropic acid

(±)-Tropic acid structure

CAS No:
552-63-6
Formula:
C9H10O3
Chemical Name:
(±)-Tropic acid
Synonyms:
Benzeneacetic acid,α-(hydroxymethyl)-;Tropic acid,(±)-;Benzeneacetic acid,α-(hydroxymethyl)-,(±)-;α-(Hydroxymethyl)benzeneacetic acid;(±)-Tropic acid;dl-Tropic acid;DL-Tropic acid;Tropic acid;2-Phenylhydracrylic acid;3-Hydroxy-2-phenylpropionic acid;(±)-2-Phenyl-3-hydroxypropionic acid;2-Phenyl-3-hydroxypropionic acid;(±)-3-Hydroxy-2-phenylpropionic acid;2-Phenyl-3-hydroxypropanoic acid;NSC 20990;3-Hydroxy-2-phenylpropanoicacid;529-64-6;28845-94-5
Categories:
Analytical Chemistry > Standard

Description

white crystalline solid

Tropic acid is a 3-hydroxy monocarboxylic acid that is propionic acid in which one of the hydrogens at position 2 is substituted by a phenyl group, and one of the methyl hydrogens is substituted by a hydroxy group. It has a role as a human xenobiotic metabolite. It derives from a propionic acid and a hydratropic acid. It is a conjugate acid of a tropate.

(±)-Tropic acid Basic Attributes

Molecular Weight：

166.17

Exact Mass：

166.17

BRN：

2209199

EC Number：

208-465-3

NSC Number：

20990

HScode：

2918195000

Characteristics

PSA：

57.5

XLogP3：

0.8

Appearance：

white crystalline solid

Density：

1.262g/cm3

Melting Point：

118 °C

Boiling Point：

322.5°C at 760 mmHg

Flash Point：

163.1ºC

Water Solubility：

soluble in water (20 g/L) at 20°C, ethanol, ether, alcohol, and methanol (0.1 g/ml).methanol: 0.1 g/mL, clear

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

safety instructions：

22-24/25

RTECS Number：

CY8535000

Stability/Shelf Life：

Stable. Combustible. Incompatible with strong oxidizing agents.

Precautionary statement(s)：

P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501

Hazard Statements：

H315

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 2 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

alpha-phenyl-beta-hydroxypropionic acid

(±)-Tropic acid Use and Manufacturing

Manufacturing Info：

Benzeneacetic acid, .alpha.-(hydroxymethyl)-: INACTIVE

Computed Properties

Molecular Weight:166.17
XLogP3:0.8
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:166.062994177
Monoisotopic Mass:166.062994177
Topological Polar Surface Area:57.5
Heavy Atom Count:12
Complexity:150
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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