CAS 870-08-6 Dioctyltin oxide (HCID 93563)

Names & identifiers

Preferred name: Dioctyltin oxide
IUPAC: dioctyl(oxo)tin
English name: Dioctyltin oxide
Molecular formula: C16H34OSn
Molecular weight: 361.15

Names & synonyms

Dioctyltin oxide870-08-6Stannane, dioctyloxo-DioctyloxostannaneTin, dioctyloxo-Stannane, oxodioctyl-Di-n-octyl-zinn oxydTin, dioctyl-, oxideDi-n-octyl-zinn oxyd [German]EINECS 212-791-1NSC 140743BRN 4131181

Show more names

DOTODioctyltin oxide (DOTO)SKL1135TIB KAT 232FASCAT 8201Dioctyloxotindioctyl-tioxideDioctylin oxideDioctylzinnoxidDi-n-octyloxotin

AI3-61965DTXSID6029628EC 212-791-1RefChem:134507DTXCID909628212-791-1Di-n-octyltin oxidedioctyl(oxo)tin

Database identifiers

CAS: 870-08-6
PubChem CID: 93563
DTXSID: DTXSID6029628
UNII: 643Q9V5VLS
EC Number: 212-791-1
Nikkaji: J7.149H

Properties

Computed structural properties

Topological polar surface area: 17.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 14
Heavy atoms: 18
Formal charge: 0
Complexity: 162

Experimental & physicochemical properties

Endocrine DisruptorsPotential endocrine disrupting compound

Food Contact SubstancesFCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR

Physical DescriptionDry Powder; Liquid

Physicochemical properties

Melting point: 245 · 245-248°C (dec.)
Density: 1 · 1,3 g/cm3
bulk density: 700 kg/m3 · 700kg/m3
vapor pressure: 0.01 hPa · <0.01 hPa (20 °C)
Flash point: 70 °C · 70°C
storage temp.: 30 °C · Store below +30°C.
solubility: Toluene (Slightly)
form: Powder
color: White
Specific Gravity: 1.3 · 1.30
Water Solubility: Insoluble
Boiling point: 230 °C · 230°C (1013 hPa)
Exposure limits: 0.1 mg/m3; · ACGIH: TWA 0.1 mg/m3; STEL 0.2 mg/m3 (Skin)NIOSH: IDLH 25 mg/m3; TWA 0.1 mg/m3
InChI: 1S/2C8H17.O.Sn/c2*1-3-5-7-8-6-4-2;;/h2*1,3-8H2,2H3;;
InChIKey: LQRUPWUPINJLMU-UHFFFAOYSA-N
SMILES: [Sn](=O)(CCCCCCCC)CCCCCCCC
LogP: 6 at · 6 at 20℃
CAS DataBase Reference: 870 · 870-08-6(CAS DataBase Reference)
Indirect Additives used in Food Contact Substances: DIOCTYLTIN OXIDE
FDA 21 CFR: 178.265 · 178.2650
EWG's Food Scores: 1 · 1
FDA UNII: 643 Q9V5VLS · 643Q9V5VLS
EPA Substance Registry System: Stannane, dioctyloxo- (870-08-6)
UNSPSC Code: 12352103 · 12352103
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 413 · H413
Precautionary statements: 273 · P273-P501
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 37 · 37/39-26-24/25
RIDADR: 3146 · UN3146
WGK Germany: 2 water · WGK 2 water endangering
RTECS: 7620000 · WH7620000
Autoignition Temperature: 100 °C · >100 °C
TSCA: TSCA listed
HazardClass: 6.1 · 6.1
PackingGroup: III
HS Code: 29310095 · 29310095
Storage Class: 6.1 C · 6.1C - Combustible, acute toxic Cat.3toxic compounds or compounds which causing chronic effects
Hazard Classifications: 4 · Aquatic Chronic 4
Toxicity: 50 orally · LD50 orally in Rabbit: 2500 mg/kg
REACH Registrations: Active
Limited Quantities: 5 kg · 5.0 kg (11 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)

Safety & regulation

GHS classification

GHS Classification · 6 items

Danger

H361 (58.8%): Suspected of damaging fertility or the unborn child [Warning Reproductive toxicity]

P203, P260, P264, P270, P273, P280, P308+P316, P318, P319, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 362 reports by companies from 20 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Danger

H361d: Suspected of damaging the unborn child [Warning Reproductive toxicity]

Hazard information

Regulatory Information · 4 items

Chemical: Stannane, dioctyloxo-

Stannane, dioctyloxo- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Stannane, dioctyloxo- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

Status: Active Update: 04-07-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/15870

Dioctyltin oxide: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Other Safety InformationIMAP assessments - Stannane, dioctyloxo-: Human health tier II assessment

Hazard Classes and Categories · 2 items

Repr. 2 (58.8%)

Specific target organ toxicity (repeated exposure) - category 1

Safety data

wgk: WGK 2 water endangering
tsca: TSCA listed
rtecs: WH7620000
ridadr: UN3146
hs_code: 29310095
Toxicity: LD50 orally in Rabbit: 2500 mg/kg
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 37/39-26-24/25
hazard_class: 6.1
Storage Class: 6.1C - Combustible, acute toxic Cat.3toxic compounds or compounds which causing chronic effects
packing_group: III
Hazard statements: H413
Limited Quantities: 5.0 kg (11 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
REACH Registrations: Active
Hazard Classifications: Aquatic Chronic 4
Autoignition Temperature: >100 °C
Precautionary statements: P273-P501

Chemistry & industry

Uses & manufacturing

U.S. Production2023: 1,000,000 - <5,000,000 lb

Consumer UsesStabilizing agent

Industry UsesCatalyst

General Manufacturing Information · 2 items

Adhesive Manufacturing

Stannane, dioctyloxo-: ACTIVE

Applications · 1 item

UsesDioctyltin oxide is used as a stabilizer and as a widely applicable catalyst, especially for esterification reactions, transesterification reactions and condensation reactions. It is slightly less reactive than dibutyltin oxide, but is not subject to as many regulatory restrictions, which is why it is increasingly used. Dioctyloxotin can also be used in various chemical synthesis such as in preparation of trinuclear seven-coordinated tin complexes, having possible antioxidant, and anti-inflammatory activity.