Cas

albert.resources.cas

CasCategory

Bases: str, Enum

Attributes:

Name	Type	Description
USER
VERISK
TSCA_PUBLIC
TSCA_PRIVATE
NOT_TSCA
EXTERNAL
UNKNOWN
CL_INVENTORY_UPLOAD

USER

USER = 'User'

VERISK

VERISK = 'Verisk'

TSCA_PUBLIC

TSCA_PUBLIC = 'TSCA - Public'

TSCA_PRIVATE

TSCA_PRIVATE = 'TSCA - Private'

NOT_TSCA

NOT_TSCA = 'not TSCA'

EXTERNAL

EXTERNAL = 'CAS linked to External Database'

UNKNOWN

UNKNOWN = 'Unknown (Trade Secret)'

CL_INVENTORY_UPLOAD

CL_INVENTORY_UPLOAD = 'CL_Inventory Upload'

Hazard

Bases: BaseModel

Represents a chemical hazard.

Show JSON schema:

{
  "description": "Represents a chemical hazard.",
  "properties": {
    "subCategory": {
      "anyOf": [
        {
          "type": "string"
        },
        {
          "type": "null"
        }
      ],
      "default": null,
      "description": "Hazard subcategory",
      "title": "Subcategory"
    },
    "hCode": {
      "anyOf": [
        {
          "type": "string"
        },
        {
          "type": "null"
        }
      ],
      "default": null,
      "description": "Hazard code",
      "title": "Hcode"
    },
    "category": {
      "anyOf": [
        {
          "type": "string"
        },
        {
          "type": "number"
        },
        {
          "type": "null"
        }
      ],
      "default": null,
      "description": "Hazard category",
      "title": "Category"
    },
    "class": {
      "anyOf": [
        {
          "type": "string"
        },
        {
          "type": "null"
        }
      ],
      "default": null,
      "description": "Hazard classification",
      "title": "Class"
    },
    "hCodeText": {
      "anyOf": [
        {
          "type": "string"
        },
        {
          "type": "null"
        }
      ],
      "default": null,
      "description": "Hazard code text",
      "title": "Hcodetext"
    }
  },
  "title": "Hazard",
  "type": "object"
}

Fields:

• sub_category (str | None)
• h_code (str | None)
• category (str | float | None)
• hazard_class (str | None)
• h_code_text (str | None)

sub_category

sub_category: str | None = None

Hazard subcategory

h_code

h_code: str | None = None

Hazard code

category

category: str | float | None = None

Hazard category

hazard_class

hazard_class: str | None = None

Hazard classification

h_code_text

h_code_text: str | None = None

Hazard code text

Cas

Bases: BaseModel

Represents a CAS entity.

Show JSON schema:

{
  "$defs": {
    "CasCategory": {
      "enum": [
        "User",
        "Verisk",
        "TSCA - Public",
        "TSCA - Private",
        "not TSCA",
        "CAS linked to External Database",
        "Unknown (Trade Secret)",
        "CL_Inventory Upload"
      ],
      "title": "CasCategory",
      "type": "string"
    },
    "Hazard": {
      "description": "Represents a chemical hazard.",
      "properties": {
        "subCategory": {
          "anyOf": [
            {
              "type": "string"
            },
            {
              "type": "null"
            }
          ],
          "default": null,
          "description": "Hazard subcategory",
          "title": "Subcategory"
        },
        "hCode": {
          "anyOf": [
            {
              "type": "string"
            },
            {
              "type": "null"
            }
          ],
          "default": null,
          "description": "Hazard code",
          "title": "Hcode"
        },
        "category": {
          "anyOf": [
            {
              "type": "string"
            },
            {
              "type": "number"
            },
            {
              "type": "null"
            }
          ],
          "default": null,
          "description": "Hazard category",
          "title": "Category"
        },
        "class": {
          "anyOf": [
            {
              "type": "string"
            },
            {
              "type": "null"
            }
          ],
          "default": null,
          "description": "Hazard classification",
          "title": "Class"
        },
        "hCodeText": {
          "anyOf": [
            {
              "type": "string"
            },
            {
              "type": "null"
            }
          ],
          "default": null,
          "description": "Hazard code text",
          "title": "Hcodetext"
        }
      },
      "title": "Hazard",
      "type": "object"
    }
  },
  "description": "Represents a CAS entity.",
  "properties": {
    "number": {
      "description": "The CAS number.",
      "title": "Number",
      "type": "string"
    },
    "name": {
      "anyOf": [
        {
          "type": "string"
        },
        {
          "type": "null"
        }
      ],
      "default": null,
      "description": "Name of the CAS.",
      "title": "Name"
    },
    "description": {
      "anyOf": [
        {
          "type": "string"
        },
        {
          "type": "null"
        }
      ],
      "default": null,
      "description": "The description or name of the CAS.",
      "title": "Description"
    },
    "notes": {
      "anyOf": [
        {
          "type": "string"
        },
        {
          "type": "null"
        }
      ],
      "default": null,
      "description": "Notes related to the CAS.",
      "title": "Notes"
    },
    "category": {
      "anyOf": [
        {
          "$ref": "#/$defs/CasCategory"
        },
        {
          "type": "null"
        }
      ],
      "default": null,
      "description": "The category of the CAS."
    },
    "casSmiles": {
      "anyOf": [
        {
          "type": "string"
        },
        {
          "type": "null"
        }
      ],
      "default": null,
      "description": "CAS SMILES notation.",
      "title": "Cassmiles"
    },
    "inchiKey": {
      "anyOf": [
        {
          "type": "string"
        },
        {
          "type": "null"
        }
      ],
      "default": null,
      "description": "InChIKey of the CAS.",
      "title": "Inchikey"
    },
    "iUpacName": {
      "anyOf": [
        {
          "type": "string"
        },
        {
          "type": "null"
        }
      ],
      "default": null,
      "description": "IUPAC name of the CAS.",
      "title": "Iupacname"
    },
    "albertId": {
      "anyOf": [
        {
          "type": "string"
        },
        {
          "type": "null"
        }
      ],
      "default": null,
      "description": "The AlbertID of the CAS.",
      "title": "Albertid"
    },
    "hazards": {
      "anyOf": [
        {
          "items": {
            "$ref": "#/$defs/Hazard"
          },
          "type": "array"
        },
        {
          "type": "null"
        }
      ],
      "default": null,
      "description": "Hazards associated with the CAS.",
      "title": "Hazards"
    },
    "wgk": {
      "anyOf": [
        {
          "type": "string"
        },
        {
          "type": "null"
        }
      ],
      "default": null,
      "description": "German Water Hazard Class (WGK) number.",
      "title": "Wgk"
    },
    "ecListNo": {
      "anyOf": [
        {
          "type": "string"
        },
        {
          "type": "null"
        }
      ],
      "default": null,
      "description": "European Community (EC) number.",
      "title": "Eclistno"
    },
    "type": {
      "anyOf": [
        {
          "type": "string"
        },
        {
          "type": "null"
        }
      ],
      "default": null,
      "description": "Type of the CAS.",
      "title": "Type"
    },
    "classificationType": {
      "anyOf": [
        {
          "type": "string"
        },
        {
          "type": "null"
        }
      ],
      "default": null,
      "description": "Classification type of the CAS.",
      "title": "Classificationtype"
    },
    "order": {
      "anyOf": [
        {
          "type": "string"
        },
        {
          "type": "null"
        }
      ],
      "default": null,
      "description": "CAS order.",
      "title": "Order"
    }
  },
  "required": [
    "number"
  ],
  "title": "Cas",
  "type": "object"
}

Fields:

• number (str)
• name (str | None)
• description (str | None)
• notes (str | None)
• category (CasCategory | None)
• smiles (str | None)
• inchi_key (str | None)
• iupac_name (str | None)
• id (str | None)
• hazards (list[Hazard] | None)
• wgk (str | None)
• ec_number (str | None)
• type (str | None)
• classification_type (str | None)
• order (str | None)

number

number: str

The CAS number.

name

name: str | None = None

Name of the CAS.

description

description: str | None = None

The description or name of the CAS.

notes

notes: str | None = None

Notes related to the CAS.

category

category: CasCategory | None = None

The category of the CAS.

smiles

smiles: str | None = None

CAS SMILES notation.

inchi_key

inchi_key: str | None = None

InChIKey of the CAS.

iupac_name

iupac_name: str | None = None

IUPAC name of the CAS.

id

id: str | None = None

The AlbertID of the CAS.

hazards

hazards: list[Hazard] | None = None

Hazards associated with the CAS.

wgk

wgk: str | None = None

German Water Hazard Class (WGK) number.

ec_number

ec_number: str | None = None

European Community (EC) number.

type

type: str | None = None

Type of the CAS.

classification_type

classification_type: str | None = None

Classification type of the CAS.

order

order: str | None = None

CAS order.

from_string

from_string(*, number: str) -> Cas

Creates a Cas object from a string.

Parameters:

Name	Type	Description	Default
number	str	The CAS number.	required

Returns:

Type	Description
Cas	The Cas object created from the string.

Source code in src/albert/resources/cas.py

@classmethod
def from_string(cls, *, number: str) -> "Cas":
    """
    Creates a Cas object from a string.

    Parameters
    ----------
    number : str
        The CAS number.

    Returns
    -------
    Cas
        The Cas object created from the string.
    """
    return cls(number=number)