基本情報
- CAS
506-50-3- 標準SMILES
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)O- InChIKey
VHOCUJPBKOZGJD-UHFFFAOYSA-N- 分子式
- C30H60O2
- 平均分子量
- 452.8 g/mol
- 単同位体質量
- 452.45933115
名称と識別子
- 優先名称
- Triacontanoic acid
- IUPAC
- triacontanoic acid
- 現地名
- メリシン酸
- 英語名
- Triacontanoic acid
- 分子式
- C30H60O2
- 分子量
- 452.8
名称と別名
TRIACONTANOIC ACIDMelissic acid506-50-3n-Triacontanoic acid1-Triacontanoic acidmyricic acidtriacontoic acidHLT2OTQ105TriacontansaeureEINECS 208-042-3NSC-53832CH3-[CH2]28-COOH
名称をさらに表示
メリシン酸トリアコンタン酸Melissic aciTriacontanoicMELLISIC ACIDMelissicAcid>Melissic acid AMELISSIC ACID(RG)
CHEBI:31003NSC 53832C30:0DTXSID7075052CH3-(CH2)28-COOHnTriacontanoic acid1Triacontanoic acidRefChem:899015
データベース識別子
- CAS
506-50-3- PubChem CID
- 10471
- DTXSID
DTXSID7075052- ChEBI
CHEBI:31003- UNII
- HLT2OTQ105
- EC Number
- 208-042-3
- Nikkaji
- J96.090J
物性
構造計算による物性
- XLogP
- 13.9
- 極性表面積
- 37.3 Ų
- 水素結合供与体数
- 1
- 水素結合受容体数
- 2
- 回転可能結合数
- 28
- 重原子数
- 32
- 形式電荷
- 0
- 複雑度
- 353
実験および物理化学的性質
Melting Point93.5 - 94 °C
Physical Description
Light yellow crystalline solid; [Sigma-Aldrich MSDS]
Solid
Collision Cross Section213.87 Ų [M-H]- [CCS Type: TIMS; Method: single field calibrated]
物理化学的性質
- 融点
- 92 · 92-94 °C(lit.)
- 沸点
- 483.65 °C · 483.65°C (rough estimate)
- 比重(密度)
- 0.8861 · 0.8861 (rough estimate)
- 屈折率
- 1.4838 · 1.4838 (estimate)
- 貯蔵温度
- 2 · 2-8°C
- 溶解性
- 25 mg/mL、透明、無色～微黄色 · クロロホルム：可溶25mg/mL、透明、無色～微黄色
- 外見
- 液体
- 酸解離定数(Pka)
- 4.78 · 4.78±0.10(Predicted)
- 色
- White to Light yellow
- BRN
- 1803689 · 1803689
- 化粧品成分の機能
- 粘度制御
- InChI
- 1S/C30H60O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30(31)32/h2-29H2,1H3,(H,31,32)
安全と法規制
GHS分類
GHS Classification
This chemical does not meet GHS hazard criteria for 66.7% (2 of 3) of all reports.
Warning
H315 (33.3%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (33.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)
Aggregated GHS information provided per 3 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Reported as not meeting GHS hazard criteria per 2 of 3 reports by companies.；There is 1 notification provided by 1 of 3 reports by companies with hazard statement code(s).；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.
危険有害性情報
Regulatory Information
Chemical: Triacontanoic acid
Triacontanoic acid: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - Triacontanoic acid: Human health tier I assessment；Evaluation - Chemicals that are unlikely to require further regulation to manage risks to environment
Hazards SummaryNot considered hazardous by GHS classification; [Sigma-Aldrich MSDS]
Hazard Classes and CategoriesSkin Irrit. 2 (33.3%)；Eye Irrit. 2 (33.3%)
法規制情報
Regulatory Information
化学と産業
薬理情報
Cellular LocationsExtracellular；Membrane
用途と製造
Use ClassificationCosmetics -> Viscosity controlling
応用分野
使用Triacontanoic Acid has agricultural applications and is a useful compound in the removal of residual pesticides from fruit via ozone-microbubble treatment.
一般的な説明Melissic acid is isolated from the pericarp of Trichosanthes rosthornii.
上流・下流製品情報
上流原料
サプライヤー68 社
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
韶远科技(上海)有限公司021-50795510 4000665055 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
関連反応
5 件
化合物ノート
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