Basic information
- CAS
529-64-6- Standard SMILES
O=C(O)C(CO)c1ccccc1- InChIKey
JACRWUWPXAESPB-UHFFFAOYSA-N- Molecular formula
- C9H10O3
- Average molar mass
- 166.17 g/mol
- Monoisotopic mass
- 166.06299418
Overview
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.
Names & identifiers
- Preferred name
- Tropic acid
- IUPAC
- 3-hydroxy-2-phenylpropanoic acid
- English name
- DL-Tropic acid
- Molecular formula
- C9H10O3
- Molecular weight
- 166.18
Names & synonyms
TROPIC ACIDdl-Tropic acid552-63-63-hydroxy-2-phenylpropanoic acid3-Hydroxy-2-phenylpropionic acid2-Phenylhydracrylic acidalpha-(Hydroxymethyl)benzeneacetic acid(+-)-tropic acidHydracrylic acid, 2-phenyl-beta-hydroxyhydratropic acidMFCD00004255alpha-(Hydroxymethyl)phenylacetic acid
Show more names
(±)-Tropic acidAtropine EP Impurity Cropicacidl-tropicNSC 20990Dl-Torpic AcidTROPIC ACID, DL-DL-TropicAcid>DL-TROPIC ACID 99%
Hydratropic acid, beta-hydroxy-(+/-)-Tropic acid3-hydroxy-2-phenyl-propanoic acidTropicacidalpha-Phenyl-beta-hydroxypropionic acidalpha-Toluic acid, alpha-(hydroxymethyl)-Benzeneacetic acid, alpha-(hydroxymethyl)-28845-94-5
Database identifiers
- CAS
529-64-6、552-63-6- PubChem CID
- 10726
- DTXSID
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 57.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 150
Experimental & physicochemical properties
LogP0.77
Physicochemical properties
- Melting point
- 116 · 116-118 °C(lit.)
- Boiling point
- 322.5 · 322.5±30.0 °C(Predicted)
- Density
- 1.262 · 1.262±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- solubility
- 0.1 g/mL, · methanol: 0.1 g/mL, clear
- form
- Solid
- pka
- 3.38 · pKa 3.38(H2O t = 25 c = 0.03–0.001) (Uncertain)
- color
- White to Off-White
- Water Solubility
- 20 g/L) · Soluble in water (20 g/L) at 20°C, ethanol, ether, alcohol, and methanol (0.1 g/ml).
- Merck
- 14 · 14,9779
- BRN
- 2209199 · 2209199
- Stability
- Stable. Combustible. Incompatible with strong oxidizing agents.
- InChI
Safety & regulation
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationTropic acid: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- CY8535000
- hs_code
- 2918195000
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 22-24/25
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzeneacetic acid, .alpha.-(hydroxymethyl)-: INACTIVE
Applications
UsesTropic Acid (Ipratropium EP Impurity C) is a benzoic acid derivative and thus carries anti-fungal properties.
Suppliers100 total
国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
成都超九八生物科技有限公司13348960310 13348960310 · [email protected]
艾吉析科技（上海）有限公司17717235263 · [email protected]
深圳市健竹科技有限公司0755-89218110 13480856786
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
广州朗欧生物科技有限公司15876533741 · [email protected]
广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]
上海腾准生物科技有限公司19821570922 · [email protected]
Related reactions
14 records
Compound notes
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