基本情報
- CAS
35541-81-2- 標準SMILES
O=C(OCC1CCC(COC(=O)c2ccccc2)CC1)c1ccccc1- InChIKey
CVPZXHCZKMFVOZ-UHFFFAOYSA-N- 分子式
- C22H24O4
- 平均分子量
- 352.4 g/mol
- 単同位体質量
- 352.16745924
名称と識別子
- 優先名称
- 1,4-Bis(benzoyloxymethyl)cyclohexane
- IUPAC
- [4-(benzoyloxymethyl)cyclohexyl]methyl benzoate
- 現地名
- シクロヘキサン-1,4-ジイルジメチレン=ジベンゾアート
- 英語名
- 1,4-Cyclohexanedimethanol dibenzoate
- 分子式
- C22H24O4
- 分子量
- 352.42
名称と別名
名称をさらに表示
データベース識別子
- CAS
35541-81-2- PubChem CID
- 118244
- DTXSID
DTXSID7041251- UNII
- 0NU241ECAO
- EC Number
- 416-230-3、609-138-1
- Nikkaji
- J1.022.679A
物性
構造計算による物性
- XLogP
- 5
- 極性表面積
- 52.6 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 4
- 回転可能結合数
- 8
- 重原子数
- 26
- 形式電荷
- 0
- 複雑度
- 399
実験および物理化学的性質
物理化学的性質
- 融点
- 125 °C · 125 °C
- 沸点
- 472.9 · 472.9±18.0 °C(Predicted)
- 比重(密度)
- 1.125 · 1.125±0.06 g/cm3(Predicted)
- 化粧品成分の機能
- 可塑剤
- LogP
- 6.049 · 6.049 (est)
- EPAの化学物質情報
- 1 · 1,4-Cyclohexanedimethanol, dibenzoate (35541-81-2)
安全と法規制
GHS分類
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]
危険有害性情報
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
法規制情報
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.
安全データ
- wgk
- 1
- tsca
- TSCA listed
- risk_code
- 53
- 化審法
- 新規公示化学物質(2011年3月31日以前届出)
- safety_code
- 61
化学と産業
用途と製造
General Manufacturing Information
All Other Basic Organic Chemical Manufacturing
1,4-Cyclohexanedimethanol, 1,4-dibenzoate: ACTIVE
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