Ingredients and Additives

This following example illustrates how the ingredients of a tobacco product would be represented and quantified using 3 datasets:

Tobacco Ingredients (IT) is used for representing the tobacco ingredients and their attributes within the tobacco product under study.
Non-tobacco Ingredients (IN) is used for representing other ingredients/additives and their attributes as used in the tobacco product under study.
Ingredient Quantities by Component (IQ) is used for representing the quantity and function of each ingredient (both tobacco and non-tobacco) by component of the tobacco product in which they are included. These values represent the design/formulation specification of the product, not experimentally determined values (as the latter would be represented in the Product Testing (PT) dataset, not shown here).

All 3 datasets use the SPTOBID variable to identify the tobacco product under study, and the IGDCMPID (ingredient or component identifier) variable to represent the ingredient name. IGDCMPID must be assigned by applicants to be unique with regard to the attributes that describe it. For instance, if the same ingredient varies on 1 or more attribute (e.g., 2 different manufacturers supplied the same ingredient that is used in 2 different components of the product), IGDCMPID must be unique for each use to reflect this difference, even if they share the same common name, and/or the same IUPAC name and CAS registry number. See IT dataset example, which illustrates this, below.

Example

The IT example shows tobacco filler and the types of tobacco of which it is composed, each listed as tobacco ingredients in the variable IGDCMPID (ingredient or component identifier) for the tobacco product CIG01A (SPTOBID). The variable ITSPECIF shows the specification/variety of the first 3 tobaccos. ITIGDPLX (Ingredient Complexity) is used to indicate that the tobacco filler and the reconstituted tobacco are complex ingredients (i.e., have 2 or more subcomponents). The details of which single tobacco ingredients compose these complex ingredients is made explicit in the IQ dataset example. ITCURMTH indicates the cure method. ITCIGIND (applicant-customized ingredient indicator) is used to indicate whether complex ingredients were made to the applicant's specification. TPMF indicates the Tobacco Product Master File name/number, which should be provided in the data if the component manufacturer has made it available.
Note that there are 2 varieties of burley tobacco in this tobacco product; each is given a unique IGDCMPID value (Burley Tobacco and Burley Tobacco 2).

it.xpt

Row	DOMAIN	STUDYID	SPTOBID	IGDCMPID	TPMF	ITSPECIF	ITIGDPLX	ITCURMTH	ITCIGIND
1	IT	TOB07	CIG01A	Tobacco Filler			COMPLEX INGREDIENT
2	IT	TOB07	CIG01A	Burley Tobacco	MF5555555	NC 7LC	SINGLE INGREDIENT	Air
3	IT	TOB07	CIG01A	Bright Tobacco		CC 1063	SINGLE INGREDIENT	Flue
4	IT	TOB07	CIG01A	Oriental Tobacco		USDA Nicotiana Collection PI 552747	SINGLE INGREDIENT	Sun
5	IT	TOB07	CIG01A	Reconstituted Tobacco			COMPLEX INGREDIENT		N
6	IT	TOB07	CIG01A	Burley Tobacco 2		KT215LC	SINGLE INGREDIENT	Air

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The IN dataset example shows the list of non-tobacco ingredients used in the tobacco product identified as CIG01A. Each unique ingredient is listed in IGDCMPID. Where applicable, IUPAC name and CAS number are listed (IUPACNAM and CASNO variables, respectively). INIGDPLX is used to indicate whether an ingredient is a single ingredient or a complex ingredient. INCIGIND indicates whether complex ingredients were made to the applicant's specification. Grade, purity, manufacturer name, ingredient unique item number, and the Tobacco Product Master File number complete the dataset.

in.xpt

Row	DOMAIN	STUDYID	SPTOBID	IGDCMPID	INMANUF	INMANUIN	TPMF	IUPACNAM	CASNO	INIGDPLX	INCIGIND	INGRADE	INPURTY
1	IN	TOB07	CIG01A	Cocoa Extract	Flavor House A	FLVR1234	MF5555555			COMPLEX INGREDIENT	N	FOOD
2	IN	TOB07	CIG01A	Butyric Acid				butanoic acid	107-92-6	SINGLE INGREDIENT		USP	≥99%
3	IN	TOB07	CIG01A	Cellulose Filter A	MFR A	FIL789			-	COMPLEX INGREDIENT	N	USP
4	IN	TOB07	CIG01A	Cellulose Acetate				cellulose acetate	9004-35-7	SINGLE INGREDIENT			99%
5	IN	TOB07	CIG01A	Triacetin				1,3-diacetyloxypropan-2-yl acetate	102-76-1	SINGLE INGREDIENT		USP
6	IN	TOB07	CIG01A	FSC Paper B	MFR B	FSC123	MF5678910			COMPLEX INGREDIENT	N
7	IN	TOB07	CIG01A	Cellulose Pulp				cellulose pulp	65996-61-4	SINGLE INGREDIENT			≥99%
8	IN	TOB07	CIG01A	Calcium Carbonate				calcium carbonate	471-34-1	SINGLE INGREDIENT		USP
9	IN	TOB07	CIG01A	Sodium Alginate				sodium;3,4,5,6-tetrahydroxyoxane-2-carboxylate	9005-38-3	SINGLE INGREDIENT		FOOD
10	IN	TOB07	CIG01A	Trisodium Citrate				trisodium;2-hydroxypropane-1,2,3-tricarboxylate	6132-04-3	SINGLE INGREDIENT			≥98%
11	IN	TOB07	CIG01A	Cationic Starch				starch, 2-hydroxy-3-(trimethylammonio)propyl ether, chloride	56780-58-6	SINGLE INGREDIENT		FOOD
12	IN	TOB07	CIG01A	Seam Adhesive	MFR C	ADV123	MF2345678			COMPLEX INGREDIENT	N
13	IN	TOB07	CIG01A	Methylcellulose					9004-67-5	SINGLE INGREDIENT		FOOD
14	IN	TOB07	CIG01A	1,3-Butanediol				Butane-1,3-diol	34844-08-1	SINGLE INGREDIENT		USP	≥99%

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Finally, the IQ domain is used to represent the quantity (target, minimum, and maximum) of each ingredient identified in IGDCMPID that the product (SPTOBID) is designed to contain, with the units for these values represented in IQUNIT. The function of each ingredient is described in IQFUNCT. Note: Ingredients that appear in more than 1 component of the tobacco product are quantified separately for each component. IQPARENT identifies a component or complex ingredient composed of the subcomponents/ingredients shown in IDGCMPID. IQLEVEL is used to identify at what level in the overall hierarchy that subcomponent/ingredient appears.

The following implementation rules apply, as described in more detail in Section 2.8.8.6, SDTM Ingredient Quantities by Component (IQ), Assumptions:

IQPARENT must correspond to a value of IGDCMPID in the same dataset. If parent is null, the ingredient is considered a top-level component and is assigned an IQLEVEL value of "1".
Records describing subcomponents/ingredients that compose a parent component listed in the dataset will have IQPARENT value equal to the IGDCMPID of that parent component. IQLEVEL will be set to n +1, where n = the parent record's value of IQLEVEL
Every value of IGDCMPID used in the IQ dataset must have a matching value of IGDCMPID:
- In the IT dataset (when IQCAT=TOBACCO INGREDIENT), or
- In the IN dataset (when IQCAT=NON-TOBACCO INGREDIENT)

Therefore, IQCAT is required to relate ingredient quantity records in IQ to the associated ingredient attributes described in either IT or IN.

The use of IQPARENT and IQLEVEL help make explicit the relationship between complex ingredients or components and the subcomponents/ingredients of which they are composed, and can assist when totaling the quantities of an ingredient that appears in multiple components of a tobacco product.

This concept map illustrates the representation of the hierarchical relationships between a component and its subcomponents/ingredients in the IQ domain structure.

Concept Map. Relationships of Components, Subcomponents and Ingredients in IQ

Alhough a tobacco product may consist of multiple components, this concept map illustrates the representation of the hierarchical relationships between a single component and and its subcomponents/ingredients in the IQ domain structure using IDGCMPID, IQPARENT, and IQLEVEL. The hypothetical parent component has 2 subcomponents/ingredients, A and B. Additionally, component B, a complex ingredient, consists of two ingredients, B1 and B2. A total of 5 components, subcomponents, and ingredients (purple boxes) would be represented in the IQ domain.

The IQ dataset example illustrates these principles, using a cigarette tobacco product:

Rows 1, 13, 16:	Show 3 top-level components of a cigarette product: tobacco filler, filter, and cigarette paper, respectively. Their target, minimum, and maximum quantities expressed in units of mg/cigarette are shown in IQVALTRG, IQVALMIN, IQVALMAX and IQUNIT. Because there is no parent component other than the finished product itself, IQPARENT is null, and IQLEVEL=1, indicating that these are top-level ingredients/components of the finished product.
Rows 2-5:	Show the quantities of 4 types of tobacco used in the product. IQPARENT=Tobacco Filler and IQLEVEL=2, together indicating that these are subcomponents/ingredients in the tobacco filler, a top level-component of the cigarette product.
Rows 6-8:	Show the 3 tobacco ingredients that compose reconstituted tobacco in row 5 (IQPARENT=Reconstituted Tobacco). The quantities of these tobaccos pertain to the quantity at which they appear in the reconstituted tobacco ONLY. IQLEVEL=3 to show that these ingredients are at the third level of the hierarchy (subcomponents/ingredients in Reconstituted Tobacco, which has IQLEVEL=2). Therefore, the total quantity of the individual tobaccos used in this tobacco product is the sum of these 3 rows plus the sum of the quantities shown in rows 2-4.
Rows 9-10:	Show the quantities of 2 non-tobacco ingredients, methylcellulose and 1,3-butanediol, which are further subcomponents/ingredients in Reconstituted Tobacco, as indicated by IQPARENT. IQFUNCT shows that methylcellulose functions as a binder and 1,3-butanediol functions as a humectant. IQLEVEL=3 to show that these ingredients are at the third level of the hierarchy.
Rows 11-12:	Show the quantities of 2 subcomponents/ingredients that both function as a flavorant in the tobacco filler (as indicated by IQFUNCT= Flavor and IQPARENT=Tobacco Filler).
Rows 14-15:	Show the quantities of 2 subcomponents/ingredients that function as filtration and plasticizer, respectively, in the filter portion of the cigarette (cellulose filter A, a top-level component shown in row 13).
Rows 17-22:	Show the quantities and functions of 6 subcomponents/ingredients in the top-level component FSC paper B (the cigarette paper shown in row 16).

iq.xpt

Row	DOMAIN	STUDYID	SPTOBID	IGDCMPID	IQCAT	IQPARENT	IQLEVEL	IQFUNCT	IQVALTRG	IQVALMIN	IQVALMAX	IQUNIT
1	IQ	TOB07	CIG01A	Tobacco Filler	TOBACCO INGREDIENT		1		672.5	661.3	683.7	mg/cigarette
2	IQ	TOB07	CIG01A	Burley Tobacco	TOBACCO INGREDIENT	Tobacco Filler	2		19	17	21	mg/cigarette
3	IQ	TOB07	CIG01A	Bright Tobacco	TOBACCO INGREDIENT	Tobacco Filler	2		300	295	305	mg/cigarette
4	IQ	TOB07	CIG01A	Oriental Tobacco	TOBACCO INGREDIENT	Tobacco Filler	2		115	113	117	mg/cigarette
5	IQ	TOB07	CIG01A	Reconstituted Tobacco	TOBACCO INGREDIENT	Tobacco Filler	2		231	229	233	mg/cigarette
6	IQ	TOB07	CIG01A	Burley Tobacco 2	TOBACCO INGREDIENT	Reconstituted Tobacco	3		19	18	20	mg/cigarette
7	IQ	TOB07	CIG01A	Bright Tobacco	TOBACCO INGREDIENT	Reconstituted Tobacco	3		103	101	105	mg/cigarette
8	IQ	TOB07	CIG01A	Oriental Tobacco	TOBACCO INGREDIENT	Reconstituted Tobacco	3		65	63	67	mg/cigarette
9	IQ	TOB07	CIG01A	Methylcellulose	NON-TOBACCO INGREDIENT	Reconstituted Tobacco	3	Binder	20	19	21	mg/cigarette
10	IQ	TOB07	CIG01A	1,3-Butanediol	NON-TOBACCO INGREDIENT	Reconstituted Tobacco	3	Humectant	24	23	25	mg/cigarette
11	IQ	TOB07	CIG01A	Cocoa Extract	NON-TOBACCO INGREDIENT	Tobacco Filler	2	Flavor	7	6.75	7.25	mg/cigarette
12	IQ	TOB07	CIG01A	Butyric Acid	NON-TOBACCO INGREDIENT	Tobacco Filler	2	Flavor	0.5	0.55	0.45	mg/cigarette
13	IQ	TOB07	CIG01A	Cellulose Filter A	NON-TOBACCO INGREDIENT		1	Filter	164	163	165	mg/cigarette
14	IQ	TOB07	CIG01A	Cellulose Acetate	NON-TOBACCO INGREDIENT	Cellulose Filter A	2	Filtration	155	154	156	mg/cigarette
15	IQ	TOB07	CIG01A	Triacetin	NON-TOBACCO INGREDIENT	Cellulose Filter A	2	Plasticizer	9	8	10	mg/cigarette
16	IQ	TOB07	CIG01A	FSC Paper B	NON-TOBACCO INGREDIENT		1	Cigarette Paper (Wrapper)	50	49	51	mg/cigarette
17	IQ	TOB07	CIG01A	Cellulose Pulp	NON-TOBACCO INGREDIENT	FSC Paper B	2	Fiber	30	29	31	mg/cigarette
18	IQ	TOB07	CIG01A	Calcium Carbonate	NON-TOBACCO INGREDIENT	FSC Paper B	2	Filler	15	14	16	mg/cigarette
19	IQ	TOB07	CIG01A	Sodium Alginate	NON-TOBACCO INGREDIENT	FSC Paper B	2	Reduced ignition propensity	2	1.75	2.25	mg/cigarette
20	IQ	TOB07	CIG01A	Trisodium Citrate	NON-TOBACCO INGREDIENT	FSC Paper B	2	Combustion Modifier	0.5	0.45	0.55	mg/cigarette
21	IQ	TOB07	CIG01A	Cationic Starch	NON-TOBACCO INGREDIENT	FSC Paper B	2	Binder	0.5	0.45	0.55	mg/cigarette
22	IQ	TOB07	CIG01A	Seam Adhesive	NON-TOBACCO INGREDIENT	FSC Paper B	2	Adhesive	2	1.75	2.25	mg/cigarette

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