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베타-나프틸에틸에테르

2-Ethoxynaphthalene

HCID 7129
노트반응
기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
부분 구조 검색유사 구조 찾기

기본 정보

CAS
93-18-5
표준 SMILES
CCOc1ccc2ccccc2c1
InChIKey
GUMOJENFFHZAFP-UHFFFAOYSA-N
분자식
C12H12O
평균 분자량
172.22 g/mol
단동위원소 질량
172.088815

개요

2-Ethoxynaphthalene is a member of naphthalenes.

이름 및 식별자

우선 이름
2-Ethoxynaphthalene
IUPAC
2-ethoxynaphthalene
현지명
베타-나프틸에틸에테르
영어명
2-Ethoxynaphthalene
분자식
C12H12O
분자량
172.22

이름 및 동의어

2-ETHOXYNAPHTHALENE93-18-5NerolineNaphthalene, 2-ethoxy-Nerolin IIEthyl 2-naphthyl etherbeta-Naphthyl ethyl etherNerolin newBromelia (compound)Nerolin bromeliaEthyl beta-naphthyl ether2-Naphthol ethyl ether
이름 더 보기
베타-나프틸에틸에테르브로메리아2-에톡시나프탈렌NEROLINNEROLINE BROMELIABROMELIAFEMA 2768nerolinii
beta-Naphthol ethyl etherEthyl beta-naphtholate.beta.-Naphthol ethyl etherFEMA No. 2768Ethyl .beta.-naphtholate.beta.-Naphthyl ethyl etherEthyl .beta.-naphthyl etherNSC 1319

데이터베이스 식별자

CAS
93-18-5
PubChem CID
7129
DTXSID
DTXSID2049684
ChEBI
CHEBI:173790
UNII
ZF3IS6G3R7
EC Number
202-226-7
Nikkaji
J4.670A

물성

구조 계산 물성

XLogP
3.8
극성 표면적
9.2 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
1
회전 가능 결합 수
2
무거운 원자 수
13
형식 전하
0
복잡도
155

실험 및 물리화학적 성질

SpringerMaterials PropertiesAngular frequency
FragrancesFragrance Ingredient (beta-Naphthyl ethyl ether) -> IFRA transparency List
Food AdditivesFLAVOR ENHANCER, FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Flavoring AgentsEU Flavoring substances
Solubility · 2건

Insoluble in water, soluble in oils

soluble (in ethanol)

Boiling Point282.00 °C. @ 760.00 mm Hg
Melting Point37.5 °C
Physical Description · 3건

Liquid

Solid

White crystalline material, aroma suggestive of orange blossom

물리화학적 성질

녹는점
35 · 35-37 °C(lit.)
끓는 점
282 °C · 282°C
밀도
1.064 · 1.0640

안전 및 규제

안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 2% (38 of 1877) of reports.

Warning

H315 (95.5%): Causes skin irritation [Warning Skin corrosion/irritation]

P264, P264+P265, P273, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364, P391, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 1877 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 5건

Chemical: Naphthalene, 2-ethoxy-

Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)

Naphthalene, 2-ethoxy- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Naphthalene, 2-ethoxy- 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)

REACH registered substance: Ethyl 2-naphthyl ether (EC: 202-226-7)

2-Ethoxynaphthalene: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesSkin Irrit. 2 (95.5%)

안전 데이터

wgk
2
tsca
TSCA listed
rtecs
QJ6900000
HS 번호
29093090
risk_code
38
hazard_code
Xi
safety_code
26-36-24/25
기존화학 물질
KE-13451

화학 및 산업

약리 정보

Cellular LocationsMembrane

용도 및 제조

U.S. Production2023: 8,257,622 lb
Consumer UsesFragrance
Industry UsesFragrance
Household ProductsInformation on 11 consumer products that contain Ethyl Beta-Naphthyl Ether in the following categories is provided:
Use Classification · 6건

Fragrance Ingredients

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavoring Agents -> JECFA Flavorings Index

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

General Manufacturing Information · 2건

All Other Chemical Product and Preparation Manufacturing

Naphthalene, 2-ethoxy-: ACTIVE

응용 분야 · 3건

개요(β-Naphthyl ethyl ether has an odor suggestive of orange blossom with a faint, fruity undertone. It has a corresponding sweet taste suggestive of strawberry (on extreme dilution only). This substance may be prepared by esterification of P-naphthol with ethyl alcohol and sulfuric acid; from β-naphtholsodium and diethylsulfate in weak aqueous base; fromβ-naphtholsodium and ethyl bromide.

용도The fluorescence of 2-Ethoxynaphthalene has been shown to be weakly quenched by m-dimethlphthalate and methyl benzoate. Importantly, at increased concentration methyl benzoate enhances the fluorescence by increasing the polarity of the solvent .

관련 반응

6건
반응 기록 만들기
HRID 485297 반응식
HRID 485297생성물로uspto-grants-1985_08
HRID 627453 반응식
HRID 627453생성물로uspto-grants-2016_04
HRID 1467423 반응식
HRID 1467423생성물로uspto-grants-2015_04
HRID 1494908 반응식
HRID 1494908반응물로NiCOlit
HRID 1495982 반응식
HRID 1495982반응물로NiCOlit
HRID 1496255 반응식
HRID 1496255반응물로NiCOlit

화합물 노트

불러오는 중…

이 페이지에서기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
증기압
0.518 Pa · 0.518Pa at 25℃
굴절률
1.5975 · 1.5975 (estimate)
FEMA
2768 · 2768 | BETA-NAPHTHYL ETHYL ETHER
인화점
134 °C · 134°C
저장 조건
Store at room temperature
용해도
알코올: 용해 가능
색상
흰색에서 거의 흰색
냄새
10 % · 디프로필렌 글리콜 중 10.00%. 나프타 꽃의 오렌지 꽃 가루 포도
냄새 유형
나프틸
생물학적 소스
synthetic
수용성
불용성
Merck
14 · 14,3752
JECFA Number
1258 · 1258
BRN
2042397 · 2042397
주요 응용
향료 및 향
화장품 원료 기능
향수
InChI
1S/C12H12O/c1-2-13-12-8-7-10-5-3-4-6-11(10)9-12/h3-9H,2H2,1H3
InChIKey
GUMOJENFFHZAFP-UHFFFAOYSA-N
SMILES
CCOc1ccc2ccccc2c1
LogP
3.747 at · 3.747 at 25℃
NIST
2 · Naphthalene, 2-ethoxy-(93-18-5)
EPA
2 · Naphthalene, 2-ethoxy- (93-18-5)
화학적 성질 · 1건

Ethyl 2-Naphthyl Ether forms white or light brown crystals (mp 37–38°C), with a mild, long-lasting, orange blossom fragrance. Soluble in 7 volumes of 95% ethanol and oily fragrances. Sweet orange blossom and grape notes at the very lightest stage, the aroma is more gentle and delicate, with a very long-lasting scent.

Hazard Classifications
Skin Irrit. 2
스토리지 클래스
11 - Combustible Solids

일반 설명Nerolin bromelia is an alkyl ether of 2-naphthol, which is generally used as a perfume and flavoring compound.

제조 방법

By esterification of β-naphthol with ethyl alcohol and sulfuric acid; from β-naphtholsodium and diethylsulfate in weak aqueous base; from β-naphtholsodium and ethyl bromide.

상·하류 제품 정보

상류 원료

다이에틸설페이트2-나프톨에틸알코올황산

하류 제품

2-에톡시나프탈렌-1-카르보닐클로라이드2-Ethoxy-1-naphthoic acid2-에톡시-1-니트로나프탈렌1-(2-ethoxynaphthalen-1-yl)ethanone

공급사100 곳

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