Dimethyl-2,6-naphthalenedicarboxylate (HCID 61225)

名称と識別子

優先名称: Dimethyl-2,6-naphthalenedicarboxylate
IUPAC: dimethyl naphthalene-2,6-dicarboxylate
現地名: 2,6-ナフタレンジカルボン酸ジメチル
英語名: Dimethyl 2,6-naphthalenedicarboxylate
分子式: C14H12O4
分子量: 244.24

名称と別名

Dimethyl 2,6-naphthalenedicarboxylate840-65-3Dimethyl naphthalene-2,6-dicarboxylate2,6-Dicarbomethoxynaphthalene2,6-NAPHTHALENEDICARBOXYLIC ACID, DIMETHYL ESTERDimethyl-2,6-naphthalenedicarboxylateDTXSID6029202dimethyl 2,6-naphthalateDimethyl 2,6-napthalenedicarboxylateEINECS 212-661-4X4Q5T8RS0GNSC 59387

名称をさらに表示

2,6-ナフタレンジカルボン酸ジメチル2,6-ナフタレンジカルボン酸ジメチルエステル2,6-ナフタレンジカルボン酸ジメチル２，６ナフタリンジカルボン酸ジメチルエステルナフタレン-2,6-ジカルボン酸ジメチルナフタレン-2,6-ジカルボン酸ジメチル, 99+%ジメチル 2,6-ナフタレンジカルボキシラートNDCndcmTIMTEC-BB SBB007910dimethyl2,6-naphthalateDimethylnaphthalin-2,6-dicarboxylatDimethyl 2,6-phthalenedicarboxylate

ORISTAR DMNDCNSC-593872,6-Naphthalene dicarboxylic acid, dimethyl ester2,6-Naphthalenedicarboxylic acid, 2,6-dimethyl esterDTXCID109202GYUVMLBYMPKZAZ-UHFFFAOYSA-EC 212-661-42,6-Naphthalic Acid Dimethyl Ester

データベース識別子

CAS: 840-65-3
PubChem CID: 61225
DTXSID: DTXSID6029202
ChEMBL: CHEMBL3188234
UNII: X4Q5T8RS0G
EC Number: 212-661-4
Nikkaji: J40.514K

物性

構造計算による物性

XLogP: 2.9
極性表面積: 52.6 Å²
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: 4
重原子数: 18
形式電荷: 0
複雑度: 294

実験および物理化学的性質

SpringerMaterials PropertiesFusion temperature

Food Contact Substances · 2 件

FCS -> FDA Cumulative Estimated Daily Intake (CEDI)

FCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR

Physical DescriptionDry Powder

物理化学的性質

融点: 187 · 187-193 °C(lit.)
沸点: 347.16 °C · 347.16°C (rough estimate)
比重(密度): 1.2379 · 1.2379 (rough estimate)
蒸気圧: 0 Pa · 0Pa at 25℃
屈折率: 1.5389 · 1.5389 (estimate)
闪点: 232 °C · 232°C
貯蔵温度: Sealed in dry,Room Temperature
外見: powder to crystal
色: White to Almost white
水溶解度: 熱トルエンに可溶（微濁）。水に不溶。
BRN: 987259 · 987259
Henry's Law Constant: 4.5 · 4.5×102 mol/(m3Pa) at 25℃, Zhang et al. (2010)
化粧品成分の機能: スキンコンディショニング
InChI: InChI=1S/C14H12O4/c1-17-13(15)11-5-3-10-8-12(14(16)18-2)6-4-9(10)7-11/h3-8H,1-2H3
InChIKey: GYUVMLBYMPKZAZ-UHFFFAOYSA-N
SMILES: C1=C2C(C=C(C(OC)=O)C=C2)=CC=C1C(OC)=O
LogP: 3.5 at · 3.5 at 25℃
CAS データベース: 840 · 840-65-3(CAS DataBase Reference)
EPAの化学物質情報: 2 · Dimethyl 2,6-naphthalenedicarboxylate (840-65-3)

安全と法規制

GHS分類

GHS Classification · 3 件

This chemical does not meet GHS hazard criteria for 98% (97 of 99) of all reports.

Not Classified

Aggregated GHS information provided per 99 reports by companies from 2 notifications to the ECHA C&L Inventory.

危険有害性情報

Regulatory Information · 4 件

Chemical: 2,6-Naphthalenedicarboxylic acid, 2,6-dimethyl ester

2,6-Naphthalenedicarboxylic acid, 2,6-dimethyl ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2,6-Naphthalenedicarboxylic acid, 2,6-dimethyl ester 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)

Status: Active Update: 29-08-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/11703

2,6-Naphthalenedicarboxylic acid, dimethyl ester: 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 CategoriesNot Classified