2,6-나프탈렌디카본산 디메틸에스테르

Dimethyl-2,6-naphthalenedicarboxylate

HCID 61225CAS 840-65-3

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: COC(=O)c1ccc2cc(C(=O)OC)ccc2c1
InChIKey: GYUVMLBYMPKZAZ-UHFFFAOYSA-N
분자식: C14H12O4
평균 분자량: 244.24 g/mol
단동위원소 질량: 244.07355886

이름 및 식별자

우선 이름: Dimethyl-2,6-naphthalenedicarboxylate
IUPAC: dimethyl naphthalene-2,6-dicarboxylate
현지명: 2,6-나프탈렌디카본산 디메틸에스테르
영어명: Dimethyl 2,6-naphthalenedicarboxylate
분자식: C14H12O4
분자량: 244.24

이름 및 동의어

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

이름 더 보기

2,6-나프탈렌디카본산디메틸에스테르다이메틸2,6-나프탈염다이메틸2,6-나프탈렌다이카르복실산다이메틸2,6-나프탈염(DIMETHYL2,6-NAPHTHALATE)2,6-나프탈렌다이카르복실 산 다이메틸 에스터다이메틸 2,6-나프탈렌다이카르복실 산NDCndcmTIMTEC-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

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP: 2.9
극성 표면적: 52.6 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 4
회전 가능 결합 수: 4
무거운 원자 수: 18
형식 전하: 0
복잡도: 294

실험 및 물리화학적 성질

SpringerMaterials PropertiesFusion temperature

Food Contact Substances · 2건

FCS -> FDA Cumulative Estimated Daily Intake (CEDI)

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

Physical DescriptionDry Powder

물리화학적 성질

녹는점: 187 · 187-193 °C(lit.)
끓는 점: 347.16 °C · 347.16°C (rough estimate)
밀도: 1.2379 · 1.2379 (rough estimate)
증기압: 0 Pa · 0Pa at 25℃
굴절률: 1.5389 · 1.5389 (estimate)
인화점: 232 °C · 232°C
저장 조건: Sealed in dry,Room Temperature
물리적 상태: powder to crystal
색상: 흰색에서 거의 흰색
수용성: 뜨거운 톨루엔에 용해됩니다(매우 희미한 탁도). 물에 불용성.
BRN: 987259 · 987259
Henry's Law Constant: 4.5 · 4.5×102 mol/(m3Pa) at 25℃, Zhang et al. (2010)
화장품 원료 기능: 피부 컨디셔닝
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℃
EPA: 2 · Dimethyl 2,6-naphthalenedicarboxylate (840-65-3)

안전 및 규제

GHS 분류

GHS Classification · 3건

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.

유해성 정보

Regulatory Information · 4건

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