基本情報
- CAS
42763-47-3- 標準SMILES
CCCCCCC1C=CC(CCCCCCCC(=O)O)CC1C(=O)O- InChIKey
RYKIXDBAIYMFDV-UHFFFAOYSA-N- 分子式
- C21H36O4
- 平均分子量
- 352.5 g/mol
- 単同位体質量
- 352.26135963
名称と識別子
- 優先名称
- Cyclocarboxypropyloleic acid
- IUPAC
- 5-(7-carboxyheptyl)-2-hexylcyclohex-3-ene-1-carboxylic acid
- 英語名
- 5(or 6)-carboxy-4-hexylcyclohex-2-ene-1-octanoic acid
- 分子式
- C21H36O4
- 分子量
- 352.50814
名称と別名
53980-88-4Cyclocarboxypropyloleic acid5(Or 6)-carboxy-4-hexylcyclohex-2-ene-1-octanoic acidC21-Dicarboxylic acidSWI7TZX7JSEINECS 258-897-15(or 6)-Carboxy-4-hexyl-2-cyclohexene-1-octanoic acid2-Cyclohexene-1-octanoic acid, 5(or 6)-carboxy-4-hexyl-ACRYLINOLEIC ACIDRefChem:580282DIACID C21WESTVACO 1550
名称をさらに表示
W-111080SCHEMBL3367340UNII-FG93I77V752-Cyclohexene-1-oct2,3,-DICARBOXYLIC ACID5(6)-Carboxy-4-hexyl-2-cyclohexene-1-octanoic acid5(6)-Carboxy-4-Hexylcyclohex-2-Ene-1-Octanoic Acid
WESTVACO WV 1550DIACID 1550WESTVACO DIACID 1550DA 1550CYCLOCARBOXYPROPYLOLEIC ACID [INCI]5-Carboxy-4-hexyl-2-cyclohexene-1-octanoic acid2-cyclohexene-1-octanoic acid, 5-carboxy-4-hexyl-42763-47-3
データベース識別子
- CAS
42763-47-3、53980-88-4- PubChem CID
- 105841
- DTXSID
DTXSID90880414- UNII
- FG93I77V75
- EC Number
- 258-897-1
- Nikkaji
- J279.552C
物性
構造計算による物性
- XLogP
- 6.7
- 極性表面積
- 74.6 Ų
- 水素結合供与体数
- 2
- 水素結合受容体数
- 4
- 回転可能結合数
- 14
- 重原子数
- 25
- 形式電荷
- 0
- 複雑度
- 416
実験および物理化学的性質
CosmeticsViscosity controlling
Physical DescriptionCBI
物理化学的性質
- 化粧品成分の機能
- 粘度制御スキンコンディショニング
- InChI
- InChI=1S/C21H36O4/c1-2-3-4-9-12-18-15-14-17(16-19(18)21(24)25)11-8-6-5-7-10-13-20(22)23/h14-15,17-19H,2-13,16H2,1H3,(H,22,23)(H,24,25)
- InChIKey
- RYKIXDBAIYMFDV-UHFFFAOYSA-N
- SMILES
- C1(C(O)=O)CC(CCCCCCCC(O)=O)C=CC1CCCCCC
- LogP
- 6.444 · 6.444 (est)
- EPAの化学物質情報
- 5 · 5(or 6)-Carboxy-4-hexyl-2-cyclohexene-1-octanoic acid (53980-88-4)
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
GHS分類
GHS Classification
This chemical does not meet GHS hazard criteria for 8.9% (50 of 560) of reports.
Warning
H319 (87.5%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)
Aggregated GHS information provided per 560 reports by companies from 7 notifications to the ECHA C&L Inventory.
危険有害性情報
Regulatory Information
Chemical: 2-Cyclohexene-1-octanoic acid, 5(or 6)-carboxy-4-hexyl-
2-Cyclohexene-1-octanoic acid, 5(or 6)-carboxy-4-hexyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2-Cyclohexene-1-octanoic acid, 5(or 6)-carboxy-4-hexyl- 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)
2-Cyclohexene-1-octanoic acid, 5(or 6)-carboxy-4-hexyl-: Does not have an individual approval but may be used under an appropriate group standard
EPA Safer ChemicalChemical: Cyclocarboxypropyloleic acid
Hazard Classes and CategoriesEye Irrit. 2 (87.5%)
安全データ
- tsca
- TSCA listed
化学と産業
用途と製造
U.S. Production2023: 10,000,000 - <25,000,000 lb
Industry UsesCloud-point depressant
Household ProductsInformation on 2 consumer products that contain Cyclocarboxypropyloleic Acid in the following categories is provided:
Use Classification
EPA Safer Chemical Functional Use Classes -> Surfactants
Safer Chemical Classes -> Green circle - The chemical has been verified to be of low concern
Cosmetics -> Viscosity controlling
General Manufacturing Information
All Other Basic Organic Chemical Manufacturing
2-Cyclohexene-1-octanoic acid, 5(or 6)-carboxy-4-hexyl-: ACTIVE
サプライヤー41 社
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
楗桥化学（上海）有限公司13248325872 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]
湖北广奥生物科技有限公司027-02702759223056 18162699093 · [email protected]
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