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2-메틸-4,6-[(옥틸티오)메틸]페놀

2-Methyl-4,6-bis[(octylthio)methyl]phenol

HCID 113646
노트반응
기본 정보이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
부분 구조 검색유사 구조 찾기

기본 정보

CAS
110553-27-0
표준 SMILES
CCCCCCCCSCc1cc(C)c(O)c(CSCCCCCCCC)c1
InChIKey
GAODDBNJCKQQDY-UHFFFAOYSA-N
분자식
C25H44OS2
평균 분자량
424.8 g/mol
단동위원소 질량
424.28335837

이름 및 식별자

우선 이름
2-Methyl-4,6-bis[(octylthio)methyl]phenol
IUPAC
2-methyl-4,6-bis(octylsulfanylmethyl)phenol
현지명
2-메틸-4,6-[(옥틸티오)메틸]페놀
영어명
Antioxidant 1520
분자식
C25H44OS2
분자량
424.75

이름 및 동의어

110553-27-02-methyl-4,6-bis((octylthio)methyl)phenol4,6-Bis(octylthiomethyl)-o-cresolIrganox 15202-methyl-4,6-bis[(octylthio)methyl]phenolPhenol, 2-methyl-4,6-bis[(octylthio)methyl]-DTXSID60441992,4-bis(octylthiomethyl)-6-methylphenolUNII-C73V7OV6Q32,4-dioctylthiomethyl-6-methylphenolPhenol, 2-methyl-4,6-bis((octylthio)methyl)-C73V7OV6Q3
이름 더 보기
2-메틸-4,6-[(옥틸티오)메틸]페놀2,4-비스(옥틸티오메틸)-6-메틸페놀2-메틸-4,6-비스(옥틸설파닐메틸)페놀4,6-bis (octylthiomethyl)-o-cresolAt 1520AO-1520C25H44OS2Runnox 1520CHLUMIAO 1520
DTXCID4024199402-860-6RefChem:881112-methyl-4,6-bis(octylsulfanylmethyl)phenolAntioxidant TH1520ANTIOXIDANT 15202-Methyl-4,6-bis[(n-octylthio)methyl]phenolMFCD00134699

데이터베이스 식별자

CAS
110553-27-0
PubChem CID
113646
DTXSID
DTXSID6044199
ChEMBL
CHEMBL3560804
UNII
C73V7OV6Q3
EC Number
402-860-6、639-900-9
Nikkaji
J268.486A

물성

구조 계산 물성

XLogP
9.7
극성 표면적
70.8 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
3
회전 가능 결합 수
18
무거운 원자 수
28
형식 전하
0
복잡도
337

실험 및 물리화학적 성질

Polymers · 2건

Plastics -> Antioxidants

Plastics -> Polyolefin-I; Polyolefin-II; (E)PS

Food Contact Substances · 3건

FCS -> FDA Cumulative Estimated Daily Intake (CEDI)

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

FCS -> FDA Inventory of Effective Food Contact Substance (FCS) Notifications

Physical DescriptionOther Solid; Dry Powder; Liquid
Collision Cross Section208.0 Ų [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: TOXCAST; Source Identifier: DTXSID6044199]

물리화학적 성질

끓는 점
532.2 · 532.2±45.0 °C(Predicted)
밀도
0.99 · 0.990±0.06 g/cm3(Predicted)
증기압
1 Pa · 1Pa at 25℃
저장 조건
Refrigerator
용해도
클로로포름(약간 용해됨), 메탄올(약간 용해됨)
산도 계수 (pKa)
9.94 · 9.94±0.50(Predicted)
물리적 상태
기름
색상
무색

안전 및 규제

안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.

GHS 분류

GHS Classification · 6건

This chemical does not meet GHS hazard criteria for 98.4% (189 of 192) of all reports.

Not Classified

Aggregated GHS information provided per 192 reports by companies from 5 notifications to the ECHA C&L Inventory.

This chemical does not meet GHS hazard criteria for 96.2% (101 of 105) of all reports.

Not Classified

Aggregated GHS information provided per 105 reports by companies from 4 notifications to the ECHA C&L Inventory.

유해성 정보

Regulatory Information · 5건

Chemical: Phenol, 2-methyl-4,6-bis((octylthio)methyl)-

Phenol, 2-methyl-4,6-bis[(octylthio)methyl]- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Phenol, 2-methyl-4,6-bis[(octylthio)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)

PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

REACH registered substance: 4,6-bis(octylthiomethyl)-o-cresol (EC: 402-860-6)

Phenol, 2-methyl-4,6-bis(octylthio)methyl-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and Categories · 2건

Not Classified

Not Classified

안전 데이터

tsca
TSCA listed
HS 번호
2930909899
기존화학 물질
97-3-441

화학 및 산업

용도 및 제조

UsesPlastics -> Typical concentration range in plastic materials -> 0.015 - 0.2%
U.S. Production2023: 1,000,000 - <2,500,000 lb
Consumer UsesOther
Industry UsesStabilizing agent
Use Classification · 2건

Plastics -> Antioxidants

Plastics -> Polymer Type -> Polyolefin-I; Polyolefin-II; (E)PS

General Manufacturing Information · 2건

Rubber Product Manufacturing

Phenol, 2-methyl-4,6-bis[(octylthio)methyl]-: ACTIVE

상·하류 제품 정보

상류 원료

N-옥틸메르캅탄O-크레졸포르말린

공급사100 곳

湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]

관련 반응

0건
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화합물 노트

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이 페이지에서기본 정보이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
수용성
99 · 99-2000μg/L at 20-25℃
InChI
InChI=1S/C25H44OS2/c1-4-6-8-10-12-14-16-27-20-23-18-22(3)25(26)24(19-23)21-28-17-15-13-11-9-7-5-2/h18-19,26H,4-17,20-21H2,1-3H3
InChIKey
GAODDBNJCKQQDY-UHFFFAOYSA-N
SMILES
C1(O)=C(CSCCCCCCCC)C=C(CSCCCCCCCC)C=C1C
LogP
10 at · 10 at 20℃
EPA
2 · Phenol, 2-methyl-4,6-bis[(octylthio)methyl]- (110553-27-0)
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