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529-64-6

529-64-6 Structure

529-64-6 Structure
IdentificationMore
[Name]

Tropic acid
[CAS]

529-64-6
[Synonyms]

2-PHENYLHYDRACRYLIC ACID
2-PHENYLHYDROACRYLIC ACID
3-HYDROXY-2-PHENYLPROPIONIC ACID
ALPHA-(HYDROXYMETHYL)BENZENEACETIC ACID
ALPHA-PHENYLHYDRACRYLIC ACID
A-PHENYL-B-HYDROXYPROPIONIC ACID
DL-3-HYDROXY-2-PHENYLPROPIONIC ACID
DL-A-PHENYLHYDRACRYLIC ACID
DL-TROPIC ACID
TROPIC ACID
TROPIC ACID, DL-
3-Hydroxy-2-phenylpropanoicacid
alpha-Phenyl-beta-hydroxypropionic acid
alpha-Toluic acid, alpha-(hydroxymethyl)-
Benzeneacetic acid, alpha-(hydroxymethyl)-
Hydracrylic acid, 2-phenyl-
Hydratropic acid, beta-hydroxy-
-Phenyl-hydroxypropionicacid-(hydroxymethyl)benzeneaceticacid
Tropaicacid
3-Hydroxy-2-phenylpropionic acid, 2-Phenylhydracrylic acid
[EINECS(EC#)]

208-465-3
[Molecular Formula]

C9H10O3
[MDL Number]

MFCD00004255
[Molecular Weight]

166.17
[MOL File]

529-64-6.mol
Chemical PropertiesBack Directory
[Appearance]

white to off-white crystalline powder
[Melting point ]

116-118 °C(lit.)
[Boiling point ]

234.38°C (rough estimate)
[density ]

1.1097 (rough estimate)
[refractive index ]

1.4500 (estimate)
[storage temp. ]

Store below +30°C.
[solubility ]

methanol: 0.1 g/mL, clear
[form ]

Crystalline Powder
[pka]

pK1:3.53 (25°C)
[color ]

White to off-white
[Optical Rotation]

+14.820 (H2O)
[Water Solubility ]

20 g/L (20 ºC)
[Merck ]

13,9849
[InChI]

1S/C9H10O3/c10-6-8(9(11)12)7-4-2-1-3-5-7/h1-5,8,10H,6H2,(H,11,12)
[InChIKey]

JACRWUWPXAESPB-UHFFFAOYSA-N
[SMILES]

OCC(c1ccccc1)C(=O)O
[CAS DataBase Reference]

529-64-6(CAS DataBase Reference)
[NIST Chemistry Reference]

Tropic acid(529-64-6)
[EPA Substance Registry System]

529-64-6(EPA Substance)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H319-H335-H315
[Precautionary statements ]

P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
[Hazard Codes ]

Xi
[Risk Statements ]

R22:Harmful if swallowed.
R41:Risk of serious damage to eyes.
R37/38:Irritating to respiratory system and skin .
R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S22:Do not breathe dust .
S24/25:Avoid contact with skin and eyes .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S36:Wear suitable protective clothing .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
[WGK Germany ]

3
[Hazard Note ]

Irritant
[HS Code ]

29181980
[Storage Class]

11 - Combustible Solids
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Sodium Methoxide-->Ethyl formate-->Benzeneacetonitrile-->Potassium borohydride-->Methyl phenylacetate
[Preparation Products]

Acetyltropylic chloride-->a-((Acetyloxy)methyl)benzeneaceticacid-->α-(Hydroxymethyl)benzenacetic acid methyl ester
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

3-Hydroxy-2-phenyl-propionic acid(529-64-6).msds
Hazard InformationBack Directory
[Description]

Tropic acid (Tropate) is a chiral substance, existing as either a racemic mixture or as a single enantiomer. Tropate is classified as a beta hydroxy acid or a Beta hydroxy acid derivative. Beta hydroxy acids are compounds containing a carboxylic acid substituted with a hydroxyl group on the C3 carbon atom. Tropate is considered to be soluble (in water) and acidic. Tropate can be synthesized from hydratropic acid and propionic acid. Tropate can be synthesized into tropan-3alpha-yl 3-hydroxy-2-phenylpropanoate. Tropic acid is proposed be used topicaly for the treatment of wrinkles.
[Chemical Properties]

white to off-white crystalline powder
[Uses]

Tropic Acid is a benzoic acid derivative and thus carries anti-fungal properties.
[Definition]

ChEBI: 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 is functionally related to a propionic acid and a hydratropic acid. It is a conjugate acid of a tropate.
[Preparation]

The process for preparing tropic acid which comprises reacting sodium phenylacetate with magnesium and isopropyl chloride, reacting the resulting sodium salt of alpha-carboxybenzylmagnesium chloride with formaldehyde, and hydrolyzing the resulting complex.
[Purification Methods]

Crystallise tropic acid from water or *benzene. [Beilstein 10 IV 664.]
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

DL-Tropic acid, 97%(529-64-6)
[Sigma Aldrich]

529-64-6(sigmaaldrich)
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