Pinic acid
Basic information
- CAS
28664-02-0- Standard SMILES
CC1(C)C(CC(=O)O)CC1C(=O)O- InChIKey
LEVONNIFUFSRKZ-UHFFFAOYSA-N- Molecular formula
- C9H14O4
- Average molar mass
- 186.2 g/mol
- Monoisotopic mass
- 186.08920892
Names & identifiers
- Preferred name
- Pinic acid
- IUPAC
- 3-(carboxymethyl)-2,2-dimethylcyclobutane-1-carboxylic acid
- English name
- Pinic Acid (DiastereoMeric Mixture)
- Molecular formula
- C9H14O4
- Molecular weight
- 186.21
Names & synonyms
Pinic acidRefChem:86335328664-02-0473-73-43-(carboxymethyl)-2,2-dimethylcyclobutane-1-carboxylic acid3-(Carboxymethyl)-2,2-dimethylcyclobutanecarboxylic acidMLS002637644NSC2802Cyclobutaneacetic acid, 3-carboxy-2,2-dimethyl-, (1R,3S)-rel-(+)-3-Carboxy-2,2-dimethyl-cyclobutaneacetic acid; NSC 2802CYCLOBUTANEACETIC ACID, 3-CARBOXY-2,2-DIMETHYL-SCHEMBL6152852
Show more names
Pinic Acid (DiastereoMeric Mixture)3-Carboxy-2,2-dimethylcyclobutaneacetic acid
CHEMBL1864627DTXSID20951323HMS3091H21NSC-2802AKOS006274145AS-86588SMR001547170DS-016560
Database identifiers
- CAS
28664-02-0、473-73-4- PubChem CID
- 10131
- DTXSID
DTXSID20951323- ChEMBL
CHEMBL1864627- EC Number
- 803-788-1
- Nikkaji
- J975.737F
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 74.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 244
Experimental & physicochemical properties
SpringerMaterials PropertiesOptical coefficient
Physicochemical properties
- Melting point
- 54 °C · >54°C (dec.)
- storage temp.
- -20 °C · Amber Vial, -20°C Freezer, Under inert atmosphere
- solubility
- Acetonitrile (Slightly), Methanol (Slightly)
- form
- Solid
- color
- Off-White to Pale Beige
- Symbol(GHS)
- 8 · GHS08
- Signal word
- Warning
- Hazard statements
- 361 · H361
- Precautionary statements
- 501 · P501-P202-P201-P280-P308+P313-P405
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
P264+P265, P280, P305+P354+P338, and P317 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesEye Dam. 1 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS08
- Hazard statements
- H361
- Precautionary statements
- P501-P202-P201-P280-P308+P313-P405
Chemistry & industry
Applications
UsesPinic Acid (Diastereomeric Mixture) can be used to prepare pinic acid diamides as herbicides.
Upstream & downstream products
Downstream products
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Related reactions
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Compound notes
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