シクロヘキサン-1,4-ジイルジメチレン=ジベンゾアート

1,4-Bis(benzoyloxymethyl)cyclohexane

HCID 118244

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

1,4-Cyclohexanedimethanol, dibenzoate35541-81-21,4-bis(benzoyloxymethyl)cyclohexane0NU241ECAOBENZOFLEX1,4-Cyclohexanedimethanol, 1,4-dibenzoateBENZOFLEX 352DTXSID7041251EC 416-230-3DIMETHYLOLCYCLOHEXANE DIBENZOATERefChem:416443DTXCID5021251
名称をさらに表示
シクロヘキサン-1,4-ジイルジメチレン=ジベンゾアート{4-[(ベンゾイルオキシ)メチル]シクロヘキシル}メチル ベンゾアート二安息香酸シクロヘキサン-1,4-ジイルビスメチレン二安息香酸1,4-シクロヘキサンジイルビスメチレン1 4-CYCLOHEXANEDIMETHANOL DIBENZOATE 9&1,4-CyclohexanediMethanol,1,4-dibenzoate1,4-Bis-(hydroxymethyl)-cyclohexane dibenzoate1,4-Cyclohexanedimethanol dibenzoate,mixture of cis and transA mixture of: cis-1,4-dimethylcyclohexyl dibenzoate trans-1,4-dimethylcyclohexyl dibenzoate
DIMETHYLOLCYCLOHEXANE DIBENZOATE [INCI]1,4-cyclohexanedimethanol dibenzoate[4-(benzoyloxymethyl)cyclohexyl]methyl benzoateCyclohexane-1,4-diylbis(methylene) dibenzoate{4-[(benzoyloxy)methyl]cyclohexyl}methyl benzoateUNII-0NU241ECAOSCHEMBL5327851,4-di(benzoyloxymethyl)cyclohexane

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

実験および物理化学的性質

Physical DescriptionOther Solid

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 · 6 件

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 · 5 件

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 · 4 件

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 · 5 件

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

U.S. Production2023: 1,000,000 - <5,000,000 lb;2022: 1,000,000 - <5,000,000 lb;2021: 1,000,000 - <5,000,000 lb;2020: 1,000,000 - <5,000,000 lb
Consumer UsesPlasticizer
Industry UsesPlasticizer
General Manufacturing Information · 2 件

All Other Basic Organic Chemical Manufacturing

1,4-Cyclohexanedimethanol, 1,4-dibenzoate: ACTIVE

サプライヤー55 社

南通润丰石油化工有限公司66017690 19952660367 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
广州纳珑化工有限公司13192879270; 13192879270 · [email protected]
苏州市森菲达化工有限公司18796480002 18796480002 · [email protected]
Baoji Guokang Healthchem co.,ltd+8615604608665 15604608665 · [email protected]

関連反応

1 件

化合物ノート

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