Data report

 

Logged in as: Mike Dewhirst, ABC Australia Pty Ltd

Always refresh your browser to see any changes: 2022-04-15 06:15:19 UTC

This report shows data used as input for categorisation plus generated information of possible interest to AICIS in the event of an audit.

 

Industrial chemical data

Trade or chemical name: 2,3-dihydroxy-[2-(2-hydroxy)ethyl]-[3-(2-hydroxy)propyl]-[(9Z,12Z)-octadeca-9,12-dienyl]azanium; chloride
CAS name: 2,3-dihydroxypropyl-[2-(2-hydroxyethoxy)ethyl]-[3-(2-hydroxyethoxy)propyl]-[(9Z,12Z)-octadeca-9,12-dienyl]azanium; chloride
Portfolio ID: NIC1005242
Division ABC Australia Pty Ltd - Operations
Access status Default - all identifying information (name, CAS etc) visible
Physical state Liquid
Origin Imported
Information availability Introducer does know the CAS number and CAS name for the introduced chemical
CAS number 168677-75-6
AICIS listing Searched for but not found
CAS name 2,3-dihydroxypropyl-[2-(2-hydroxyethoxy)ethyl]-[3-(2-hydroxyethoxy)propyl]-[(9Z,12Z)-octadeca-9,12-dienyl]azanium; chloride
IUPAC name Not entered
INCI name Not entered
Nano-material No
Nano-soluble No
Incidental nano-material No
UVCB substance Not applicable
UVCB substance description Not applicable
GM product No
Name of GM organism Not applicable
Biological chemical Yes
Biochemical No
Biocidal active No
Organotin No
UV filter No
Polyhalogenated organic No
Fully fluorinated carbons No
Highly branched organic Not applicable
Persistent No
Readily biodegradable No
Bioconcentration factor Not entered
Bioaccumulation factor Not entered
Octanol/Water partition ratio Not entered
Aqueous solubility 420
Environment info required for AICIS: 12 Bioaccumulation potential: Aqueous solubility 08 November 2021

Information that demonstrates that the chemical has a solubility in water that is >5 g/L, measured following an acceptable test guideline for water solubility

OECD Test 105: Water Solubility

CIH company Not entered
Information holder Adrian Thomas
adrian@chemicalia.com
ABC Australia Pty Ltd
1234567
Elsewhere
Qld 4444
Australia
International assessment Not entered
International health assessment No
Permission to use entire health assessment report Not applicable
International environment assessment No
Permission to use entire environment assessment report Not applicable
Rotterdam-Stockholm-Minamata Not detected
Formula C₃₀H₆₀ClNO₆
2D structure Not found
Chemical structure

Molecular weight 566.3 g/mol
EC No Not entered
ChemSpider ID 64881210
Standard InChIKey IBBTWBUZVVGGOQ-NBTZWHCOSA-M (ChemSpider)
Standard InChI InChI=1S/C30H60NO6.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-31(28-30(35)29-34,21-25-37-27-23-33)20-18-24-36-26-22-32;/h6-7,9-10,30,32-35H,2-5,8,11-29H2,1H3;1H/q+1;/p-1/b7-6-,10-9-; (ChemSpider)
SMILES structure CCCCC/C=C\C/C=C\CCCCCCCC[N+](CCCOCCO)(CCOCCO)CC(CO)O.[Cl-] (ChemSpider)
CCCCC/C=C\\C/C=C\\CCCCCCCC[N+](CCCOCCO)(CCOCCO)CC(CO)O.[Cl-] (ChemSpider)

1  Chemical volume

Product name Macvat-5
    End use scenario Personal care products - limited environmental release
    Or end use Ointments
    Maximum end use concentration 0.008  %
    Child or food contact Neither
    Aerosolised during end use No
    Any consumer end use Yes
    No of items Not entered
    Item unit weight Not entered
    Product volume 656  kg
    Precise proportion 42%  m/m  2,3-dihydroxy-[2-(2-hydroxy)ethyl]-[3-(2-hydroxy)propyl]-[(9Z,12Z)-octadeca-9,12-dienyl]azanium; chloride
    Chemical volume 275.5  kg

Introduction

Report ID Not entered
Exclusion Not applicable
Specified class Not applicable
Circumstances Not applicable
Introduction Exempted - very low risk
Total introduced 275.5  kg
Maximum concentration 0.008  %
Software revision 0.9.60

1  Hazard

IC-R.S1.2.4.13 IC-R.S1.2.4.13 Environmental pollutant: Aquatic: Industrial chemical (other than a polymer) that does not meet the criteria for ready biodegradability

5  Useful links

AICIS assessment https://www.industrialchemicals.gov.au/chemical-information/search-assessments?assessmentcasnumber=168677-75-6
AICIS CAS Number search https://www.industrialchemicals.gov.au/search-inventory?casnumber=168677-75-6

If the CAS number is found this link will lead to the Inventory terms of listing. Otherwise it is most likely not listed
AICIS checklist - Exempted - very low risk https://www.industrialchemicals.gov.au/sites/default/files/2021-03/Exempted%20checklist%20-%20Highest%20indicative%20risk%20for%20your%20introduction%20is%20very%20low%20risk%20%5B522%20KB%5D.pdf

The pdf file in this link will either download or display depending on your browser preferences
AICIS Google search https://www.google.com/search?q=168677-75-6+site%3A.industrialchemicals.gov.au

Google search of the AICIS website for existing documents containing this CAS number
AICIS record keeping obligations - Exempted - very low risk https://www.industrialchemicals.gov.au/business/reporting-and-record-keeping-obligations/record-keeping-obligations-exempted-introductions/record-keeping-exempted-introductions-highest-indicative-risk-very-low

6  Notes

Environment info required for AICIS: 08 Toxic to any aquatic life 08 November 2021

Information on aquatic toxicity for all three trophic levels (fish, invertebrates and algae) from suitable in silico predictions on the chemical or in vivo studies on the chemical or from suitable read across information, conducted following acceptable test guidelines for aquatic toxicity, with the following results for all three trophic levels:

- acute aquatic toxicity >10 mg/L (96 h LC50 (fish), or 48 h EC50 (invertebrates) or 72 or 96 h ErC50 (algae)), or

- chronic aquatic toxicity NOEC or EC10 >1 mg/L (for chemicals that are not readily biodegradable), or

information that demonstrates that the chemical is a substance covered by Entry 9 of Annex V of the REACH Regulation

OECD Test 201: Freshwater Alga and Cyanobacteria, Growth Inhibition Test

OECD Test 202: Daphnia sp. Acute Immobilisation Test

OECD Test 203: Fish, Acute Toxicity Test

OECD Test 210: Fish, Early-life Stage Toxicity Test

OECD Test 211: Daphnia magna Reproduction Test

Health info required for AICIS: 05 Genetic toxicity 08 November 2021

Information that demonstrates the absence of mutagenic or genotoxic effects from both:

- information on the chemical or from suitable read across information that addresses gene mutations - this could be:

* a suitable in silico prediction, both with and without metabolic activation, or

* test results from a study conducted following an acceptable test guideline for gene mutations; and

- test results from a study on the chemical or from suitable read across information conducted following an acceptable test guideline for chromosomal abnormalities.

OECD Test 471: Bacterial Reverse Mutation Test

OECD Test 473: In Vitro Mammalian Chromosomal Aberration Test

OECD Test 474: Mammalian Erythrocyte Micronucleus Test

OECD Test 475: Mammalian Bone Marrow Chromosomal Aberration Test

OECD Test 476: In Vitro Mammalian Cell Gene Mutation Tests using the Hprt and xprt genes

OECD Test 478: Rodent Dominant Lethal Test

OECD Test 485: Genetic toxicology, Mouse Heritable Translocation Assay

OECD Test 486: Unscheduled DNA Synthesis (UDS) Test with Mammalian Liver Cells in vivo

OECD Test 487: In Vitro Mammalian Cell Micronucleus Test

OECD Test 488: Transgenic Rodent Somatic and Germ Cell Gene Mutation Assays

OECD Test 489: In Vivo Mammalian Alkaline Comet Assay

OECD Test 490: In Vitro Mammalian Cell Gene Mutation Tests Using the Thymidine Kinase Gene

Health info required for AICIS: 10 Skin corrosion 08 November 2021

A suitable in silico prediction indicating that the chemical is not irritating to skin or has no alerting groups for skin irritation

Health info required for AICIS: 11 Eye damage 08 November 2021

A suitable in silico prediction indicating that the chemical is not irritating to the eye

Health info required for AICIS: 12 Skin sensitisation 08 November 2021

Suitable in silico prediction indicating that the chemical and its metabolites (if any) do not cause skin sensitisation; and

results from an in vitro study on the chemical or from suitable read across information, conducted following an acceptable test guideline for the 2nd key event in skin sensitisation, with a nonsensitising prediction; and

test results from an in vitro study on the chemical or from suitable read across information, conducted following an acceptable test guideline for the 3rd key event in skin sensitisation, with a non-sensitising prediction

OECD Test 406: Skin Sensitisation

OECD Test 429: Skin Sensitisation

OECD Test 442A: Skin Sensitization

OECD Test 442B: Skin Sensitization

OECD Test 442C: In Chemico Skin Sensitisation

OECD Test 442D: In Vitro Skin Sensitisation

OECD Test 442E: In Vitro Skin Sensitisation

Health info required for AICIS: 13 Acute toxicity (fatal or toxic) 08 November 2021

Suitable in silico prediction for acute toxicity (LD50) of the chemical of >2,000 mg/kg bw/day; and

test results from an in vitro study on the chemical or from suitable read across information for acute toxicity (LD50), conducted following an acceptable test guideline for acute oral toxicity, of >300 mg/kg bw

OECD Test 420: Acute Oral Toxicity - Fixed Dose Procedure

OECD Test 423: Acute Oral toxicity - Acute Toxic Class Method

OECD Test 425: Acute Oral Toxicity: Up-and-Down Procedure

 

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