4,4'-チオビス(6-tert-ブチル-m-クレゾール)

Santonox

HCID 7308CAS 57062-46-1

基本情報

標準SMILES
Cc1cc(O)c(C(C)(C)C)cc1Sc1cc(C(C)(C)C)c(O)cc1C
InChIKey
HXIQYSLFEXIOAV-UHFFFAOYSA-N
分子式
C22H30O2S
平均分子量
358.5 g/mol
単同位体質量
358.1966512

概要

4,4'-thiobis(6-tert-butyl-m-cresol) appears as white or light gray to tan powder. (NTP, 1992)

名称と識別子

優先名称
Santonox
IUPAC
2-tert-butyl-4-(5-tert-butyl-4-hydroxy-2-methylphenyl)sulfanyl-5-methylphenol
現地名
4,4'-チオビス(6-tert-ブチル-m-クレゾール)
英語名
4,4'-Thiobis(6-tert-butyl-m-cresol)
分子式
C22H30O2S
分子量
358.54

名称と別名

4,4'-Thiobis(6-tert-butyl-m-cresol)Sumilizer WXSantonox BMYoshinox SRThioalkofen MBChThioalkofen BMCHSANTONOXSumilizer WX-RSantowhite crystalsSantonox RDisperse MB-61Thioalkofen BM 4
名称をさらに表示
4,4'-チオビス(6-tert-ブチル-m-クレゾール)チオアルコフェンMBCh4,4'-チオビス(2-tert-ブチル-5-メチルフェノール)サントノックス酸化防止剤AOスミライザーWX2,2'-ジ-tert-ブチル-5,5'-ジメチル-4,4'-スルファンジイルジフェノール4,4'-チオビス[3-メチル-6-(tert-ブチル)フェノール]チオアルコフェンBMCh4,4'-チオビス[2-(tert-ブチル)-5-メチルフェノール]酸化防止剤TMB-6スミライザーWX-RサントノックスR抗酸化剤TMB-6ノクラック300ヨシノックスSRサントノックスBMヨシノックスS4,4'-チオビス[3-メチル-6-(1,1-ジメチルエチル)フェノール]4,4'-チオビス(3-メチル-6-tert-ブチルフェノール)Antioxidant 300Rutenol4,4-THIOBIS(6-TERT-BUTYL-M-CRESOL)6,6′-Di-tert-butyl-4,4′-thiodi-m-kresolAN 300AO-300usafb-15ST029248
Antioxidant AOThioalkophene BM-4Yoshinox SUsaf B-15Nonflex BPS4,4'-Thiobis(2-tert-butyl-5-methylphenol)Antage CrystalNocrac 300

データベース識別子

CAS
57062-46-1、96-69-5
PubChem CID
7308
DTXSID
DTXSID4021341
ChEMBL
CHEMBL1526319
UNII
3CA5G9822V
EC Number
202-525-2
Nikkaji
J5.161F

物性

構造計算による物性

XLogP
7.4
極性表面積
65.8 Ų
水素結合供与体数
2
水素結合受容体数
3
回転可能結合数
4
重原子数
25

実験および物理化学的性質

Polymers · 3 件

Plastics & Rubber -> Curing Agents (Aromatic)

Plastics -> Antioxidants

Plastics -> Polyolefin-I

OdorSlightly aromatic odor.
Density · 4 件

1.1 at 77 °F (NTP, 1992) - Denser than water; will sink

1.10

1.10 @25 °C

1.10

Color/Form · 3 件

LIGHT GREY POWDER

FINE WHITE CRYSTALS

Light gray to tan powder.

Solubility · 3 件

less than 0.1 mg/mL at 64 °F (NTP, 1992)

VERY SOL IN METHANOL (79%); SOL IN ACETONE (20%); SLIGHTLY SOL IN BENZENE (5%); VERY SLIGHTLY SOL IN WATER (0.08%)

0.08%

Flash Point · 4 件

420 °F (NTP, 1992)

420 °F

420 °F

420 °F

物理化学的性質

融点
160 · 160-165 °C
沸点
460.94 °C · 460.94°C (rough estimate)
比重(密度)
1.06 · 1.06~1.12g/cm3
蒸気圧
0.001 Pa · 0.001Pa at 20℃
屈折率
1.52 · 1.5200 (estimate)
闪点
215 °C · 215 °C

化学的性質

化学的特性white to almost white crystals or crystalline

安全と法規制

GHS分類

GHS Classification · 6 件

This chemical does not meet GHS hazard criteria for 0.2% (2 of 807) of reports.

Warning

H317 (96.5%): May cause an allergic skin reaction [Warning Sensitization, Skin]

P261, P264+P265, P272, P273, P280, P302+P352, P305+P351+P338, P321, P333+P317, P337+P317, P362+P364, P391, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 807 reports by companies from 23 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Warning

危険有害性情報

Regulatory Information · 4 件

Chemical: Phenol, 4,4'-thiobis[2-(1,1-dimethylethyl)-5-methyl-

Phenol, 4,4'-thiobis[2-(1,1-dimethylethyl)-5-methyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Phenol, 4,4'-thiobis[2-(1,1-dimethylethyl)-5-methyl- 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: 24-09-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/16037

Phenol, 4,4'-thiobis[2-(1,1-dimethylethyl)-5-methyl-: Does not have an individual approval but may be used under an appropriate group standard

Fire HazardsThis chemical is combustible. (NTP, 1992)
Health HazardsExcerpt from NIOSH Pocket Guide for 4,4'-Thiobis(6-tert-butyl-m-cresol):
Hazards Summary · 1 件

Liver toxicity observed in 2-year feeding studies of rodents; Two patients had positive patch tests after developing contact dermatitis from latex gloves containing Santonox, but this was not confirmed in three other studies that found no evidence of skin sensitization; TLV Basis is respiratory tract irritation; [ACGIH] A skin, eye, and respiratory tract irritant; [CAMEO]

Reactive GroupSulfides, Organic
Special Reports · 1 件

Toxicology & Carcinogenesis Studies of 4,4'-Thiobis(6-t-butyl-m-cresol) in F344/N Rats and B6C3F1 Mice (Feed Studies). Technical Report Series No. 435 (1994) NTIS Publication No. 95-225751 U.S. Department of Health and Human Services, National Toxicology Program, National Institute of Environmental Health Sciences, Research Triangle Park, NC 27709

安全と保護具

Fire FightingFires involving this compound can be controlled with a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992)
First Aid · 2 件

EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.

(General first aid procedures)

Nonfire Spill Response · 1 件

SMALL SPILLS AND LEAKAGE: Should a spill occur while you are handling this chemical, FIRST REMOVE ALL SOURCES OF IGNITION, then you should dampen the solid spill material with 60-70% ethanol and transfer the dampened material to a suitable container. Use absorbent paper dampened with 60-70% ethanol to pick up any remaining material. Seal the absorbent paper, and any of your clothes, which may be contaminated, in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with 60-70% ethanol followed by washing with a soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.

Respirator RecommendationsImportant additional information about respirator selection
Threshold Limit Values (TLV) · 6 件

1.0 [mg/m3], Inhalable particulate matter

8 hr Time Weighted Avg (TWA): 10 mg/cu m. /4,4-Thiobis(6-tert-butyl-m-cresol)/

Excursion Limit Recommendation: Excursions in worker exposure levels may exceed three times the TLV-TWA for no more than a total of 30 min during a work day, and under no circumstances should they exceed five times the TLV-TWA, provided that the TLV-TWA is not exceeded. /4,4-Thiobis(6-tert-butyl-m-cresol)/

A4; Not classifiable as a human carcinogen. /4,4-Thiobis(6-tert-butyl-m-cresol)/

2008 Notice of Intended Changes: These substances, with their corresponding values and notations, comprise those for which (1) a limit is proposed for the first time, (2) a change in the Adopted value is proposed, (3) retention as an NIC is proposed, or (4) withdrawal of the Documentation and adopted TLV is proposed. In each case, the proposals should be considered trial values during the period they are on the NIC. These proposals were ratified by the ACGIH Board of Directors and will remain on the NIC for approximately one year following this ratification. If the Committee neither finds nor receives any substantive data that changes its scientific opinion regarding an NIC TLV, the Committee may then approve its recommendation to the ACGIH Board of Directors for adoption. If the Committee finds or receives substantive data that change its scientific opinion regarding an NIC TLV, the Committee may change its recommendation to the ACGIH Board of Directors for the matter to be either retained on or withdrawn from the NIC. Substance: 4,4-Thiobis(6-tert-butyl-m-cresol); Time Weighted Avg (TWA): 10.0 mg/cu m; Short Term Exposure Limit (STEL): None; Notations: A4; Not classifiable as a human carcinogen; Molecular Weight: 358.54; TLV Basis: Liver damage, upper and lower respiratory irritation.

1 mg/m³ (inhalable particulate matter) [2010]

Permissible Exposure Limit (PEL) · 3 件

15.0 [mg/m3](total dust), 5 mg/m3(respirable fraction)

15 mg/m³ (total dust), 5 mg/m³ (respirable fraction)

TWA 15 mg/m3 (total) TWA 5 mg/m3 (resp) See Appendix G

毒性情報

Target OrgansEyes, skin, respiratory system
Adverse EffectsOccupational hepatotoxin - Secondary hepatotoxins: the potential for toxic effect in the occupational setting is based on cases of poisoning by human ingestion or animal experimentation.
Exposure Routesinhalation, ingestion, skin and/or eye contact
Signs and Symptomsirritation eyes, skin, respiratory system
Ongoing Test Status · 1 件

The following link will take the user to the National Toxicology Program (NTP) Test Agent Search Results page, which tabulates all of the "Standard Toxicology & Carcinogenesis Studies", "Developmental Studies", and "Genetic Toxicity Studies" performed with this chemical. Clicking on the "Testing Status" link will take the user to the status (i.e., in review, in progress, in preparation, on test, completed, etc.) and results of all the studies that the NTP has done on this chemical. [http://ntp-apps.niehs.nih.gov/ntp_tox/index.cfm?fuseaction=ntpsearch.searchresults&searchterm=96-69-5]

Carcinogen Classification · 6 件

4,4-Thiobis(6-Tert-Butyl-m-Cresol)

TR-435: Toxicology and Carcinogenesis Studies of 4,4'-Thiobis(6-t-butyl-m-cresol) (CASRN 96-69-5) in F344/N Rats and B6C3F1 Mice (Feed Studies) (1994 )

06/22/93

No Evidence

No Evidence

No Evidence

安全データ

OEB
B
OEL
TWA: 10 mg/m3 (total)
wgk
WGK 2 water endangering
tsca
TSCA listed
rtecs
GP3150000
ridadr
UN3077

化学と産業

用途と製造

Uses · 6 件

Used as an antioxidant in the manufacturing of synthetic rubber and plastics; [HSDB]

Plastic Composites Manufacturing [Category: Industry]

USED AS AN ANTIOXIDANT FOR POLYOLEFINES (HIGH- AND LOW-PRESSURE POLYETHYLENES, POLYPROPYLENE)

ANTIOXIDANT FOR SYNTHETIC RUBBERS & LATEXES

ANTIOXIDANT FOR NATURAL RUBBER & LATEX

STABILIZER FOR POLYETHYLENE, EG, FOOD PACKAGING FILMS

U.S. Exports · 2 件

(1979) No Data

(1981) No Data

U.S. Imports · 2 件

(1979) No Data

(1981) 6.50X10+7 GRAMS (PRINCPL CUSTMS DISTS)

U.S. Production · 3 件

2023: 100,000 - <250,000 lb

(1979) PROBABLY GREATER THAN 4.54X10+5 GRAMS

(1981) PROBABLY GREATER THAN 4.54X10+5 GRAMS

Industry UsesUV stabilizer
Methods of ManufacturingPROBABLY BY REACTION OF SULFUR DICHLORIDE WITH 6-T-BUTYL-M-CRESOL
応用分野 · 3 件

用途天然ゴム、合成ゴム、、合成樹脂の酸化防止剤、特に電線被覆用架橋ポリエチレンへの使用に適している。有機ゴム薬品(老化防止剤)

使用4,4''-Thiobis(2-tert-butyl-5-methylphenol) is an antioxidant in the rubber and plastics industry. 4,4''-Thiobis(2-tert-butyl-5-methylphenol) is a radical inhibitor which prevents the thermal decomposition of the peracid. In addition, it is used as a stabilizer in polyethylene and polyolefin packaging materials for foodstuffs. Protection of light-colored rubber from oxidation and of nonstaining neoprene compounds against deterioration.

一般的な説明White or light gray to tan powder.

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関連反応

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