티오디프로피온산 디스테아릴

Distearyl Thiodipropionate

HCID 12738CAS 31852-10-5

기본 정보

표준 SMILES
CCCCCCCCCCCCCCCCCCOC(=O)CCSCCC(=O)OCCCCCCCCCCCCCCCCCC
InChIKey
PWWSSIYVTQUJQQ-UHFFFAOYSA-N
분자식
C42H82O4S
평균 분자량
683.2 g/mol
단동위원소 질량
682.5933821

개요

The CIR Expert Panel concludes that Dilauryl Thiodipropionate, Thiodipropionic Acid, Dicetyl Thiodipropionate, Dimyristyl Thiodipropionate, Distearyl Thiodipropionate, and Ditridecyl Thiodipropionate are safe as cosmetic ingredients in the practices of use and concentration given in this safety assessment when formulated to be non-irritating.

이름 및 식별자

우선 이름
Distearyl Thiodipropionate
IUPAC
octadecyl 3-(3-octadecoxy-3-oxopropyl)sulfanylpropanoate
현지명
티오디프로피온산 디스테아릴
영어명
Distearyl thiodipropionate
분자식
C42H82O4S
분자량
683.16

이름 및 동의어

DISTEARYL THIODIPROPIONATEDioctadecyl 3,3'-thiodipropionateDioctadecyl thiodipropionatePlastanox STDPAntioxidant STDPDistearyl 3,3'-thiodipropionateCyanox STDPAdvastab 802DSTDPAdvastab PS 802Sumilizer TPSIrganox PS 802
이름 더 보기
다이스테아릴싸이오다이프로피온산티오디프로피온산디스테아릴다이스테아릴싸이오다이프로피온산다이스테아릴티오다이프로피오네이트dstpps802AO-DSDTPAntioxidant DSTDPDistearyl thiodipropdioctadecyl 3,3'-thiodipropanoateantiokslusmitss
Arbestab DSTDPLusmit SSSeenox DSYoshinox DSTDPNaugard DSTDPEvanstab 18Hostanox SE 2Hostanox SE 4

데이터베이스 식별자

CAS
31852-10-5、693-36-7
PubChem CID
12738
DTXSID
DTXSID3027299
UNII
B40A12D0GL
EC Number
211-750-5、250-843-5
Nikkaji
J2.106G

물성

구조 계산 물성

XLogP
18.2
극성 표면적
77.9 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
5
회전 가능 결합 수
42
무거운 원자 수
47

실험 및 물리화학적 성질

Polymers · 2건

Plastics -> Antioxidants

Plastics -> Polyolefin-I; Polyolefin-II; ABS; PET; PA

Cosmetics · 2건

Cosmetic ingredients (Distearyl Thiodipropionate) -> CIR (Cosmetic Ingredient Review)

Antioxidant

PlasticizersPlastics & Rubber -> Other Plasticizers
Density1.027 g/cu cm at 25 °C
Color/Form · 2건

White flakes

Crystals

Solubility · 3건

Insoluble in water

Water solubility: <0.001 g/L at 20 °C

Very soluble in benzene and olefin polymeres

물리화학적 성질

녹는점
65 · 65-67°C
끓는 점
664.53 °C · 664.53°C (rough estimate)
밀도
0.8994 · 0.8994 (rough estimate)
굴절률
1.522 · 1.5220 (estimate)
인화점
237 ℃ · 237℃
저장 조건
Refrigerator, under inert atmosphere

안전 및 규제

GHS 분류

GHS Classification · 4건

This chemical does not meet GHS hazard criteria for 85.9% (477 of 555) of all reports.

H412 (10.8%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

P273, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 555 reports by companies from 8 notifications to the ECHA C&L Inventory.

유해성 정보

Regulatory Information · 4건

Chemical: Propanoic acid, 3,3'-thiobis-, dioctadecyl ester

Propanoic acid, 3,3'-thiobis-, 1,1'-dioctadecyl ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Propanoic acid, 3,3'-thiobis-, 1,1'-dioctadecyl ester 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: 17-02-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/13363

Propanoic acid, 3,3'-thiobis-, dioctadecyl ester: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationIMAP assessments - Propanoic acid, 3,3'-thiobis-, dioctadecyl ester: Human health tier I assessment
Hazards Summary · 1건

Oral LD50 (rat) >2500 mg/kg; [ChemIDplus] It is toxic to rats if added to food at 3% for 24 months--retards animal growth; [HSDB] No effects observed in a 2-year feeding study of rats at doses up to 1125 mg/kg-bw/day, the highest dose tested; Not irritating to rabbit skin or eye; Not mutagenic in in vitro tests; [EPA Hazard Characterization Document: Thiobis Propanoic Acid Derivatives - 2010]

Hazard Classes and CategoriesAquatic Chronic 3 (10.8%)

안전 및 보호

Disposal Methods · 1건

SRP: The most favorable course of action is to use an alternative chemical product with less inherent propensity for occupational harm/injury/toxicity or environmental contamination. Recycle any unused portion of the material for its approved use or return it to the manufacturer or supplier. Ultimate disposal of the chemical must consider: the material's impact on air quality; potential migration in soil or water; effects on animal and plant life; and conformance with environmental and public health regulations.

독성 정보

Environmental Fate · 3건

TERRESTRIAL FATE: Based on a classification scheme(1), an estimated Koc value of 1X10+10(SRC), determined from a structure estimation method(2), indicates that distearyl thiodipropionate is expected to be immobile in soil(SRC). Volatilization of distearyl thiodipropionate from moist soil surfaces is expected to be an important fate process(SRC) given an estimated Henry's Law constant of 1.2X10-4 atm-cu m/mole(SRC), using a fragment constant estimation method(2), however, distearyl thiopropionate's strong adsorption to soil that will attenuate volatilization(SRC). Distearyl thiodipropionate is not expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 4.95X10-8 mm Hg at 20 °C(3). An 82% of theoretical BOD using activated sludge in the Japanese MITI test(4) suggests that biodegradation may be an important environmental fate process in soil(SRC). However, results of several biodegradation tests (OECD methods 301B, 301C, 301D) reported biodegradation of 0 to 40% which classify distearyl thiopropionate as not readily biodegradable(3,5); OECD method 302C observed degradation of 60% which indicates inherently biodegradable(3,5).

AQUATIC FATE: Based on a classification scheme(1), an estimated Koc value of 1X10+10(SRC), determined from a structure estimation method(2), indicates that distearyl thiodipropionate is expected to adsorb to suspended solids and sediment(SRC). Volatilization from water surfaces is expected(3) based upon an estimated Henry's Law constant of 1.2X10-4 atm-cu m/mole(SRC), developed using a fragment constant estimation method(2). Using this Henry's Law constant and an estimation method(3), volatilization half-lives for a model river and model lake are 1.1 and 16 days, respectively(SRC). However, volatilization from water surfaces is expected to be attenuated by adsorption to suspended solids and sediment in the water column. The estimated volatilization half-life from a model pond is greater than 100 years if adsorption is considered(4). According to a classification scheme(5), an estimated BCF of 3(SRC), from an estimated log Kow of 17.7(2) and a regression-derived equation(2), suggests the potential for bioconcentration in aquatic organisms is low(SRC). A base-catalyzed second-order hydrolysis rate constant of 0.077 L/mole-sec(SRC) was estimated using a structure estimation method(6); this corresponds to half-lives of 2.8 years and 104 days at pH values of 7 and 8, respectively(SRC). An 82% of theoretical BOD using activated sludge in the Japanese MITI test(7) suggests that biodegradation may be an important environmental fate process in water(SRC). However, results of several biodegradation tests (OECD methods 301B, 301C, 301D) reported biodegradation of 0 to 40% which classify distearyl thiopropionate as not readily biodegradable(8,9); OECD method 302C observed degradation of 60% which indicates inherently biodegradable(8,9).

ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), distearyl thiodipropionate, which has a vapor pressure of 4.95X10-8 mm Hg at 20 °C(2), will exist in both the vapor and particulate phases in the ambient atmosphere. Vapor-phase distearyl thiodipropionate is degraded in the atmosphere by reaction with photochemically-produced hydroxyl radicals(SRC); the half-life for this reaction in air is estimated to be 5.6 hours(SRC), calculated from its rate constant of 6.9X10-11 cu cm/molecule-sec at 25 °C(SRC) that was derived using a structure estimation method(3). Particulate-phase distearyl thiodipropionate may be removed from the air by wet or dry deposition(SRC).

Toxicity Summary · 2건

The CIR Expert Panel concludes that Dilauryl Thiodipropionate, Thiodipropionic Acid, Dicetyl Thiodipropionate, Dimyristyl Thiodipropionate, Distearyl Thiodipropionate, and Ditridecyl Thiodipropionate are safe as cosmetic ingredients in the practices of use and concentration given in this safety assessment when formulated to be non-irritating.

Safe for use in cosmetics, with qualifications

Soil Adsorption/Mobility · 1건

Using a structure estimation method based on molecular connectivity indices(1), the Koc of distearyl thiodipropionate can be estimated to be 1X10+10(SRC). According to a classification scheme(2), this estimated Koc value suggests that distearyl thiodipropionate is expected to be immobile in soil.

Artificial Pollution SourcesDistearyl thiodipropionate's production and use as an antioxidant, plasticizer and softening agent(1) may result in its release to the environment through various waste streams(SRC).
Environmental Biodegradation · 1건

AEROBIC: Distearyl thiodipropionate, present at 100 mg/L, reached 82% of its theoretical BOD in 4 weeks using an activated sludge inoculum at 30 mg/L in the Japanese MITI test(1); a theoretical BOD of 60% or higher indicates readily biodegradable(1). Using OECD Method 301B (Modified Sturm Test CO2 Evolution, 28-day incubation), distearyl thiodipropionate had a 15% CO2 evolution (11.3 mg/L concentration) and a 2% CO2 evolution (23.9 mg/L concentration) which is classified as not readily biodegradable(2,3). Using OECD Method 301C (Modified MITI Test, 28-day incubation), distearyl thiodipropionate had an average of 40% theoretical BOD in five tests which is classified as not readily biodegradable(2,3). Using OECD Method 301D (Closed Bottle Test, 30-day incubation), distearyl thiodipropionate had a degradation of 0% which is classified as not readily biodegradable(2,3). Using OECD Method 302C (Modified MITI Test II), distearyl thiodipropionate reached 60% of its theoretical BOD which is classified as inherently biodegradable(2,3).

Environmental Bioconcentration · 1건

An estimated BCF of 3 was calculated in fish for distearyl thiodipropionate(SRC), using an estimated log Kow of 17.7(1) and a regression-derived equation(1). According to a classification scheme(2), this BCF suggests the potential for bioconcentration in aquatic organisms is low(SRC).

안전 데이터

wgk
WGK 1
tsca
TSCA listed
rtecs
UF8010000
HS 번호
29309090
risk_code
36/37/38
safety_code
26-36/37/39

화학 및 산업

약리 정보

Metabolism/Metabolites · 1건

Dilauryl thiodipropionate (DLTDP), dicetyl thiodipropionate, dimyristyl thiodipropionate, distearyl thiodipropionate, and ditridecyl thiodipropionate are dialkyl esters of their respective alcohols and thiodipropionic acid (TDPA) used in cosmetics. Ingested DLTDP was excreted in the urine as TDPA. Single-dose acute oral and parenteral studies and subchronic and chronic repeated dose oral studies did not suggest significant toxicity. Neither DLTDP nor TDPA was irritating to animal skin or eyes and they were not sensitizers. TDPA was neither a teratogen nor a reproductive toxicant. Genotoxicity studies were negative for TDPA and DLTDP. Clinical testing demonstrated some evidence of irritation but no sensitization or photosensitization. The Cosmetic Ingredient Review Expert Panel considered that the data from DLTDP reasonably may be extrapolated to the other dialkyl esters and concluded that these ingredients were safe for use in cosmetic products that are formulated to be nonirritating.

Absorption, Distribution and Excretion · 1건

...LAURYL THIODIPROPIONATE IS ABSORBED FROM INTESTINAL TRACT OF DOG, RABBITS, AND RAT, & A LARGE PART IS ELIMINATED FROM THE BODY BY KIDNEYS, AS THIODIPROPIONIC ACID. WITH THE SAME ANIMALS /DISTEARYL THIODIPROPIONATE/...APPEAR/S/ TO BE ABSORBED WITH GREAT DIFFICULTY...ALTHOUGH SOME APPEARS IN URINE GREATER PART...IN FECES.

용도 및 제조

Uses · 6건

CIR ingredient: Distearyl Thiodipropionate

Used as antioxidant for polypropylene, polyethylene, thermoplastics, rubbers, fats, and vegetable oils; Also used as a plasticizer and as a preservative in animal feed; [HSDB]

Farming (Feed Additives) [Category: Industry]

SYNERGIST /PRC: WITH PRIMARY ANTIOXIDANTS/ FOR VEGETABLE OILS

Antioxidant, plasticizer, softening agent.

Used as a secondary antioxidant in a variety of polymer systems including polyolefins, ABS, styrene-butadiene emulsions and certain adhesives. These antioxidants are added to help preserve the integrity of the plastics to which they are added. Common commercial products that may contain low levels of these antioxidants include household appliances such as coffee makers, food packaging trays like those found at the grocers, plastic patio furniture, and plastic covering for wire. In addition to these uses, distearyl thiodipropionate is FDA approved for use in food-packaging under specific listings in the Code of Federal Regulations (CFR) Title 21-Food and Drugs Chapter I-Food and Drug Administration, Department of Health and Human Services, and DLTDP has both human and animal GRAS applications.

U.S. Exports · 2건

(1979) No Data

(1981) No Data

U.S. Imports · 2건

(1979) No Data

(1981) No Data

U.S. Production · 5건

2023: 4,000,000 - <5,500,000 lb

(1981) 1.06X10+9 GRAMS

Propanoic acid, 3,3'-thiobis-, dioctadecyl ester is listed as a High Production Volume (HPV) chemical (65FR81686). Chemicals listed as HPV were produced in or imported into the U.S. in >1 million pounds in 1990 and/or 1994. The HPV list is based on the 1990 Inventory Update Rule. (IUR) (40 CFR part 710 subpart B; 51FR21438).

Production volumes for non-confidential chemicals reported under the Inventory Update Rule. [Table#5532]

Production volume for non-confidential chemicals reported under the 2006 Inventory Update Rule. Chemical: Propanoic acid, 3,3'-thiobis-, 1,1'-dioctadecyl ester. Aggregated National Production Volume: 1 to < 10 million pounds.

Consumer UsesAntioxidant
Industry UsesAntioxidant
응용 분야 · 2건

개요Antioxidant DSTP is usually in the form of white particles or powder, which can impart excellent long-term thermal stability to the material, and is usually used in combination with phenolic antioxidants.

용도Dioctadecyl 3,3’-Thiodipropionate (CAS# 693-36-7) is an antioxidant additive added to prevent degredation or oxidative decomposition of the organic polymers. Dioctadecyl 3,3’-Thiodipropionate has decreased the aging properties of poly(1-butene) in a hot air aging box.

상·하류 제품 정보

공급사50 곳

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
杭州景优化工有限公司87211835 13957193240 · [email protected]

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