기본 정보
- 표준 SMILES
O=C(OCC1CCC(COC(=O)c2ccccc2)CC1)c1ccccc1- InChIKey
CVPZXHCZKMFVOZ-UHFFFAOYSA-N- 분자식
- C22H24O4
- 평균 분자량
- 352.4 g/mol
- 단동위원소 질량
- 352.16745924
이름 및 식별자
- 우선 이름
- 1,4-Bis(benzoyloxymethyl)cyclohexane
- IUPAC
- [4-(benzoyloxymethyl)cyclohexyl]methyl benzoate
- 현지명
- 다이메틸올사이클로헥산다이벤조에이트
- 영어명
- 1,4-Cyclohexanedimethanol dibenzoate
- 분자식
- C22H24O4
- 분자량
- 352.42
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
35541-81-2- PubChem CID
- 118244
- DTXSID
DTXSID7041251- UNII
- 0NU241ECAO
- EC Number
- 416-230-3、609-138-1
- Nikkaji
- J1.022.679A
물성
구조 계산 물성
- XLogP
- 5
- 극성 표면적
- 52.6 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 26
- 형식 전하
- 0
- 복잡도
- 399
실험 및 물리화학적 성질
물리화학적 성질
- 녹는점
- 125 °C · 125 °C
- 끓는 점
- 472.9 · 472.9±18.0 °C(Predicted)
- 밀도
- 1.125 · 1.125±0.06 g/cm3(Predicted)
- 화장품 원료 기능
- 가소제
- LogP
- 6.049 · 6.049 (est)
- EPA
- 1 · 1,4-Cyclohexanedimethanol, dibenzoate (35541-81-2)
안전 및 규제
GHS 분류
GHS Classification
H413: May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]
P273, and P501 (click each P-code to see the statement)
H413 (100%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]
P273, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 192 reports by companies from 1 notifications to the ECHA C&L Inventory.;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
H413 (100%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]
유해성 정보
Regulatory Information
Chemical: 1,4-Cyclohexanedimethanol, dibenzoate
1,4-Cyclohexanedimethanol, 1,4-dibenzoate is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1,4-Cyclohexanedimethanol, 1,4-dibenzoate 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.
Status: Active Update: 20-11-2012 https://echa.europa.eu/registration-dossier/-/registered-dossier/3506
1,4-Cyclohexanedimethanol, dibenzoate: 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.
Hazard Classes and Categories
Aquatic Chronic 4 (100%)
Aquatic Chronic 4 (100%)
Hazardous to the aquatic environment (chronic) - category 4
Aquatic Chronic 4
규제 정보
Regulatory Information
Chemical: 1,4-Cyclohexanedimethanol, dibenzoate
1,4-Cyclohexanedimethanol, 1,4-dibenzoate is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1,4-Cyclohexanedimethanol, 1,4-dibenzoate 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.
Status: Active Update: 20-11-2012 https://echa.europa.eu/registration-dossier/-/registered-dossier/3506
1,4-Cyclohexanedimethanol, dibenzoate: 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.
안전 데이터
- wgk
- 1
- tsca
- TSCA listed
- risk_code
- 53
- safety_code
- 61
- 기존화학 물질
- KE-02931
화학 및 산업
용도 및 제조
General Manufacturing Information
All Other Basic Organic Chemical Manufacturing
1,4-Cyclohexanedimethanol, 1,4-dibenzoate: ACTIVE
공급사50 곳
관련 반응
연결된 노트
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