Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용

HCID 79717생성일: 2026년 10월 27일

4,4′-이소프로필아이덴비스(2,6-디메틸페놀)

4,4′-이소프로필아이덴비스(2,6-디메틸페놀) · 2,2-BIS(4-하이드록시-3,5-디메틸페닐)프로판 · TETRAMETHYLBISPHENOL A · Nsc73730 · Bisxylenol A · LABOTEST-BB LT00159397 · Adrenaline Impurity 54 · bisphenol a, tetramethyl

https://huagongshe.com/ko/chemical/79717

식별자 및 물리적 특성

CAS No.	5613-46-7
분자식	C19H24O2
평균 분자량	284.4 g/mol
단동위원소 질량	284.17763001 g/mol
SMILES	Cc1cc(C(C)(C)c2cc(C)c(O)c(C)c2)cc(C)c1O
InChIKey	ODJUOZPKKHIEOZ-UHFFFAOYSA-N
PubChem CID	79717
ChEMBL	CHEMBL480406
EC No.	227-033-5
DTXSID	DTXSID8047973
현지명	4,4′-이소프로필아이덴비스(2,6-디메틸페놀)

화학 및 물리적 성질

XLogP	5.5
극성 표면적	40.5
수소 결합 공여자 수	2
수소 결합 수용자 수	2
회전 가능 결합 수	2
무거운 원자 수	21
형식 전하	0
복잡도	295
Endocrine Disruptors	Potential endocrine disrupting compound
Physical Description	Dry Powder
Collision Cross Section	182.9 Å² [M-H]- [CCS Type: DTBuffer gas: N2Ionization: ESI-Dataset: TOXCASTSource Identifier: DTXSID8047973]
녹는점	162-165 °C (lit.)
끓는 점	420.6±40.0 °C(Predicted)
밀도	1.074±0.06 g/cm3(Predicted)
증기압	0Pa at 20℃
저장 조건	Sealed in dry,Room Temperature
용해도	클로로포름(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태	고체
pKa(산도 계수)	10.60±0.10(Predicted)
색상	미색부터 옅은 갈색까지
용해도	3.17mg/L at 20℃
안정성	흡습성
InChI	InChI=1S/C19H24O2/c1-11-7-15(8-12(2)17(11)20)19(5,6)16-9-13(3)18(21)14(4)10-16/h7-10,20-21H,1-6H3
InChIKey	ODJUOZPKKHIEOZ-UHFFFAOYSA-N
SMILES	C(C1=CC(C)=C(O)C(C)=C1)(C1=CC(C)=C(O)C(C)=C1)(C)C
LogP(분배 계수)	4.51 at 25℃
EPA	Phenol, 4,4'-(1-methylethylidene)bis[2,6-dimethyl- (5613-46-7)

안전 및 규제

GHS 분류	This chemical does not meet GHS hazard criteria for 2.4% (1 of 42) of reports.WarningH315 (95.2%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 42 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
규제 정보	Chemical: Phenol, 4,4'-(1-methylethylidene)bis[2,6-dimethyl-Phenol, 4,4'-(1-methylethylidene)bis[2,6-dimethyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Phenol, 4,4'-(1-methylethylidene)bis[2,6-dimethyl- 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: 06-04-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/19541
Hazard Classes and Categories	Skin Irrit. 2 (95.2%)
수질 위해 등급(WGK)	3
TSCA 등재 상태	TSCA listed
관세 코드	29072990
위험 문구(R)	36/37/38
위험 표시	Xi
안전 문구(S)	26-36
위험 등급	Eye Irrit. 2Skin Irrit. 2STOT SE 3
저장 분류	11 - Combustible Solids

식별자 및 물리적 특성

CAS No.

5613-46-7

분자식

C19H24O2

평균 분자량

284.4 g/mol

단동위원소 질량

284.17763001 g/mol

SMILES

Cc1cc(C(C)(C)c2cc(C)c(O)c(C)c2)cc(C)c1O

InChIKey

ODJUOZPKKHIEOZ-UHFFFAOYSA-N

PubChem CID

79717

ChEMBL

CHEMBL480406

EC No.

227-033-5

DTXSID

DTXSID8047973

현지명

4,4′-이소프로필아이덴비스(2,6-디메틸페놀)

화학 및 물리적 성질

XLogP

5.5

극성 표면적

40.5

수소 결합 공여자 수

수소 결합 수용자 수

회전 가능 결합 수

무거운 원자 수

형식 전하

복잡도

295

Endocrine Disruptors

Potential endocrine disrupting compound

Physical Description

Dry Powder

Collision Cross Section

182.9 Å² [M-H]- [CCS Type: DTBuffer gas: N2Ionization: ESI-Dataset: TOXCASTSource Identifier: DTXSID8047973]

녹는점

162-165 °C (lit.)

끓는 점

420.6±40.0 °C(Predicted)

밀도

1.074±0.06 g/cm3(Predicted)

증기압

0Pa at 20℃

저장 조건

Sealed in dry,Room Temperature

용해도

클로로포름(약간 용해됨), 메탄올(약간 용해됨)

물리적 상태

고체

pKa(산도 계수)

10.60±0.10(Predicted)

색상

미색부터 옅은 갈색까지

용해도

3.17mg/L at 20℃

안정성

흡습성

InChI

InChI=1S/C19H24O2/c1-11-7-15(8-12(2)17(11)20)19(5,6)16-9-13(3)18(21)14(4)10-16/h7-10,20-21H,1-6H3

InChIKey

ODJUOZPKKHIEOZ-UHFFFAOYSA-N

SMILES

C(C1=CC(C)=C(O)C(C)=C1)(C1=CC(C)=C(O)C(C)=C1)(C)C

LogP(분배 계수)

4.51 at 25℃

EPA

Phenol, 4,4'-(1-methylethylidene)bis[2,6-dimethyl- (5613-46-7)

안전 및 규제

GHS 분류

This chemical does not meet GHS hazard criteria for 2.4% (1 of 42) of reports.WarningH315 (95.2%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 42 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

규제 정보

Chemical: Phenol, 4,4'-(1-methylethylidene)bis[2,6-dimethyl-Phenol, 4,4'-(1-methylethylidene)bis[2,6-dimethyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Phenol, 4,4'-(1-methylethylidene)bis[2,6-dimethyl- 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: 06-04-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/19541

Hazard Classes and Categories

Skin Irrit. 2 (95.2%)

수질 위해 등급(WGK)

TSCA 등재 상태

TSCA listed

관세 코드

29072990

위험 문구(R)

36/37/38

위험 표시

안전 문구(S)

26-36

위험 등급

Eye Irrit. 2Skin Irrit. 2STOT SE 3

저장 분류

11 - Combustible Solids