基本情報
- 標準SMILES
CC1(C)[C@@H](C(=O)O)CC[C@@]1(C)C(=O)O- InChIKey
LSPHULWDVZXLIL-LDWIPMOCSA-N- 分子式
- C10H16O4
- 平均分子量
- 200.23 g/mol
概要
(?)-Camphoric acid is a dicarboxylic acid.
名称と識別子
- 優先名称
- Camphoric Acid
- IUPAC
- trans-(1R,3S)-1,2,2-trimethylcyclopentane-1,3-dicarboxylic acid
名称と別名
5394-83-232K0C7JGCJ1,2,2-TRIMETHYL-1,3-CYCLOPENTANECARBOXYLIC ACIDNSC-60219NSC-174634Camphoric Acid, DlL-RefChem:56900226-404-91,2,2-trimethylcyclopentane-1,3-dicarboxylic acidCamphoric Acid124-83-4D-(+)-Camphoric acid
名称をさらに表示
d-Camphoric acid(1R,3S)-1,2,2-trimethylcyclopentane-1,3-dicarboxylic acidDL-CAMPHORIC ACID(1R,3S)-(+)-Camphoric acid(1R,3S)-camphoric acidMFCD00001375Levocarnitine Impurity B1,3-Cyclopentanedicarboxylic acid, 1,2,2-trimethyl-, (1R,3S)-
データベース識別子
- CAS
124-83-4、5394-83-2- PubChem CID
- 101807
- DTXSID
DTXSID301021163- ChEMBL
CHEMBL1205405- ChEBI
CHEBI:172083- UNII
- 32K0C7JGCJ、W77RM1CSD5
- EC Number
- 204-715-0、226-404-9
- Nikkaji
- J184.556J
物性
構造計算による物性
- XLogP
- 1.3
- 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
- 2
- 重原子数
- 14
- 形式電荷
- 0
- 複雑度
- 282
実験および物理化学的性質
Chemical ClassesOther Classes -> Organic Acids
SpringerMaterials PropertiesDensity
Vapor Pressure0.0000151 [mmHg]
Physical DescriptionSolid; [Merck Index] Beige powder; [Sigma-Aldrich MSDS]
安全と法規制
GHS分類
GHS Classification
This chemical does not meet GHS hazard criteria for 4.5% (2 of 44) of reports.
Warning
H302 (90.9%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 44 reports by companies from 4 notifications to the ECHA C&L Inventory.
危険有害性情報
Regulatory InformationStatus: Active Update: 28-09-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/20740
Hazards SummaryMay cause irritation; Harmful by ingestion; [Sigma-Aldrich MSDS]
Hazard Classes and CategoriesAcute Tox. 4 (90.9%)
化学と産業
用途と製造
UsesUsed as a reagent in organic synthesis; [Merck Index]
General Manufacturing Information1,3-Cyclopentanedicarboxylic acid, 1,2,2-trimethyl-, (1R,3S)-: ACTIVE
関連反応
8 件
関連ノート
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