Carbamic acid, (2-hydroxypropyl)-, compd. with 1-amino-2-propanol (1:1)

Basic toxicokinetics

Administrative data

Endpoint:

basic toxicokinetics

Type of information:

migrated information: read-across from supporting substance (structural analogue or surrogate)

Adequacy of study:

weight of evidence

Reliability:

2 (reliable with restrictions)

Data source

Reference

Reference Type:

publication

Title:

2-Propanol, 1-amino-, CAS-No. 78-96-6; SIDS Initial Assessment Profile for SIAM 32, 2011-04-19; Investigated in a Category C1-13 Primary Amines

Author:

OECD SIDS

Year:

2011

Bibliographic source:

OECD SIDS documents (Chemicals Screening Information Dataset for High Volume Chemicals); Conclusions agreed; available via web-page

Materials and methods

Principles of method if other than guideline:

Toxicokinetic assessment for the category C1-C13 primary amines

Test material

Test material information

Constituent 1

Reference substance name:

1-amino-2-propanol

IUPAC Name:

1-amino-2-propanol

Constituent 2

Reference substance name:

1-aminopropan-2-ol

EC Number:

201-162-7

EC Name:

1-aminopropan-2-ol

Cas Number:

78-96-6

IUPAC Name:

1-aminopropan-2-ol

Details on test material:

The C1-C13 primary amines category is limited to the eleven sponsored substances as mentioned above. It excludes C12-C16 primary fat amines.
(74-89-5) Methylamine; (75-04-7) Ethylamine; (75-31-0) Isopropylamine; (109-73-9) Butylamine; (13952-84-6) sec-Butylamine; (75-64-9) tert-Butylamine; (111-86-4) Octylamine; (104-75-6) Hexylamine, 2-ethyl; (5332-73-0) Propylamine, 3-methoxy-; (1761-71-3) Cyclohexylamine, 4,4’-methylenebis; (78-96-6) 2-Propanol, 1-amino-

The C1-C13 Primary Amines category is represented by the structure with a single and primary amino-group R-NH2, where R is an alkyl group that may be linear, branched or alicyclic; the alkyl group may include an atom or group that will not react with or substantially affect the properties of the amine function. The tendency to share the nonbonded electron pair on the nitrogen underlies the chemical behavior of amines as a group.
The C1-C13 Primary Amines category members are structurally similar showing trend in physical-chemical properties and ecotoxicity and similar toxicological properties. This category is defined as below:
• A structure that contains only aliphatic organic substituents that are linear, branched or cyclic;
• Molecular weights from approxiamtely 30 to 250 Dalton, classifying these primary amines as low molecular weight aliphatic amines.
• Incremental structural change across the group consisting of an increasing number of atoms in the molecular backbone; moderate branching is acceptable. The change is restricted to adding elements that do not greatly change the physicochemical properties of the amino moiety, as evidenced by the consistency of pKa values within the narrow range of 9.86 to 10.87.
Observed corrosive properties overwhelm the systemic toxicity of the primary amines in most cases, including acute toxicity; the known acute oral and dermal effects are generally related to the alkaline properties and are expected to be a general feature of the category. Structure-activity similarities for mammalian toxicity and structure-activity relationships (SAR) shown for aquatic toxicity endpoints lend support to the category.
In general, members of the C1-C13 primary amines can be considered to be comparable in metabolism. However, there are known outliers for which own data are available to cover the endpoints (due to structural differences, methylamine, tert-butlylamine may be metabolized by different pathways than the rest of the category). Read-across approach has been used for addressing the mammalian toxicity endpoints where no data were available on individual substances.