2-Acetylnaphthalene (HCID 7122)

개요

2-acetylnaphthalene is a naphthyl ketone that is naphthalene substituted at position 2 by an acetyl group.

이름 및 식별자

우선 이름: 2-Acetylnaphthalene
IUPAC: 1-naphthalen-2-ylethanone
현지명: 베타-메틸 나프틸 케톤
영어명: 2-Acetonaphthone
분자식: C12H10O
분자량: 170.21

이름 및 동의어

2-Acetylnaphthalene2-Acetonaphthone93-08-32'-Acetonaphthone1-(naphthalen-2-yl)ethanoneMethyl 2-naphthyl ketoneEthanone, 1-(2-naphthalenyl)-1-(2-Naphthyl)ethanone2-Naphthyl methyl ketoneAcetonaphthoneMethyl beta-naphthyl ketoneOranger cyrstals

이름 더 보기

베타-메틸나프틸케톤베타-메틸나프틸케톤2-아세토나프톤ORANGE IIMETHYL NAPHTHYL KETONEMethyl β-naphthyl ketoneORANGE 2ACID ORANGE IIFEMA 27232-Acetonaphthone99%

beta-AcetonaphthoneCetone D1-(2-NAPHTHALENYL)ETHANONEbeta-AcetonaphthaleneOranger crystalsKetone, methyl 2-naphthylbeta-Naphthyl methyl ketone1-(naphthalen-2-yl)ethan-1-one

데이터베이스 식별자

CAS: 1333-52-4、93-08-3
PubChem CID: 7122
DTXSID: DTXSID2041389
ChEMBL: CHEMBL3183700
ChEBI: CHEBI:52364
UNII: 21D49LOP2T
EC Number: 202-216-2、215-594-9
Nikkaji: J2.840A

물성

구조 계산 물성

XLogP: 3.2
극성 표면적: 17.1 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 1
무거운 원자 수: 13
형식 전하: 0
복잡도: 197

실험 및 물리화학적 성질

Chemical ClassesOther Classes -> Naphthalenes

PolymersPolycyclic aromatic compound

SpringerMaterials Properties13C nuclear magnetic resonance spectrum

Fragrances · 2건

Fragrance Ingredient (1-(Naphthyl)ethan-1-one) -> IFRA transparency List

Fragrance Ingredient (Methyl beta-naphthyl ketone) -> IFRA transparency List

Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food

Flavoring AgentsEU Flavoring substances

물리화학적 성질

녹는점: 52 · 52-56 °C (lit.)
끓는 점: 300 · 300-301 °C (lit.)
밀도: 1.12 g/mL · 1.12 g/mL at 25 °C(lit.)
증기압: 0.12 Pa · 0.12Pa at 25℃
FEMA: 2723 · 2723 | METHYL BETA-NAPHTHYL KETONE
굴절률: 20 · n20/D 1.628(lit.)
인화점: 230 °F · >230 °F
저장 조건: Sealed in dry,Room Temperature
용해도: 0.272 g/L · 0.272g/L
물리적 상태: 미세한 결정성 분말 및 덩어리
산도 계수 (pKa): 0 · 0[at 20 ℃]
색상: 하얀색
냄새: 오렌지 꽃 냄새
냄새 유형: 꽃향기
생물학적 소스: synthetic
수용성: 불용성
JECFA Number: 811 · 811
BRN: 774965 · 774965
화장품 원료 기능: 향수향기
InChI: 1S/C12H10O/c1-9(13)11-7-6-10-4-2-3-5-12(10)8-11/h2-8H,1H3
InChIKey: XSAYZAUNJMRRIR-UHFFFAOYSA-N
SMILES: CC(=O)c1ccc2ccccc2c1
LogP: 2.678 at · 2.678 at 25℃
NIST: 2 · 2-Naphthyl methyl ketone(93-08-3)
EPA: 2 · 2'-Acetonaphthone (93-08-3)

화학적 성질 · 1건

2-Acetonaphthone smells similar to orange blossomand is a colorless crystalline solid (mp 56 °C). It is usually prepared by Friedel–Crafts acetylation of naphthalene (with acetyl chloride, acetic anhydride, etc.) in the presence of aluminumchloride. In polar solvents (e.g., nitrobenzene), the percentage of the simultaneously formed -isomer is lower. Methyl 2-naphthyl ketone is used in eau de cologne, soap perfumes, and detergents. It is a good fixative.

안전 및 규제

GHS 분류

GHS Classification · 6건

This chemical does not meet GHS hazard criteria for 67.4% (1321 of 1959) of all reports.

Warning

H302 (11.3%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P273, P280, P301+P317, P302+P352, P321, P330, P332+P317, P362+P364, P391, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 1959 reports by companies from 16 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Warning

유해성 정보

Regulatory Information · 5건

Chemical: Ethanone, 1-(2-naphthalenyl)-

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

Ethanone, 1-(2-naphthalenyl)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Ethanone, 1-(2-naphthalenyl)- 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: 16-12-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/11282

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

Hazards SummarySafe when used as a flavoring agent in food; [JECFA] A skin and strong eye irritant; [Alfa Aesar MSDS] See Naphthalene.

Hazard Classes and Categories · 2건

Acute Tox. 4 (11.3%)

Acute Tox. 4 (100%)

독성 정보

Carcinogen ClassificationNo indication of carcinogenicity to humans (not listed by IARC).

안전 데이터

wgk: 3
tsca: TSCA listed
rtecs: DB7084000
ridadr: UN3077
독성: skn-hmn 100% FCTXAV 13,867,75
HS 번호: 29143900
risk_code: 36/37/38-51/53-22-20/21/22
hazard_code: Xn,Xi,N
safety_code: 26-36-61-24/25-22-36/37
포장분류: III
위험 등급: 9
기존화학 물질: KE-25592
위험 참고 사항: Irritant
Hazard Classifications: Aquatic Chronic 2
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

약리 정보

Cellular LocationsMembrane

용도 및 제조

UsesPermitted for use as an inert ingredient in non-food pesticide products; [EPA] Used as flavoring agent or adjuvant; [FDA]

U.S. Production2023: 7,000,000 - <8,500,000 lb

Consumer UsesFragrance

Industry UsesFragrance

IFRA Fragrance Standards · 6건

Methyl beta-naphthyl ketone

2-Acetonaphthone; Î²-Acetylnaphthalene; Cetone d; Ethanone, 1-(2-naphthalenyl); Î²-Methyl naphthyl ketone; Î²-Naphthyl methyl ketone; Oranger crystals

IFRA_STD_095.pdf

49

IFRA 51st Amendment - Guidance for the use of IFRA Standards

Restriction: This material should be used only in the limited quantity as stated in the Standard

Household ProductsInformation on 27 consumer products that contain 2-AcetylnaphthaleneÃ¢â¬Â¨ in the following categories is provided:

응용 분야 · 2건

용도2-Acetonaphthone is a flavoring agent that is a crystalline solid (white or nearly white) with orange blossom-like odor. It is soluble in most fixed oils, slightly soluble in mineral oil and propylene glycol, and insoluble in glycerin. It is obtained by chemical synthesis.

일반 설명2-Acetonaphthone undergoes efficient photoreduction in the presence of tri-n-butylstannane as hydrogen donor. It is solubilized in air-saturated sodium dodecyl sulphate micelles in D2O or H2O by pulsed nitrogen laser photolysis for triplet sensitized production of singlet oxygen.

제조 방법

2-Acetonaphthone may be prepared by Friedel-Crafts reaction of naphthalene, acetyl chloride and AlCl3.

공급사50 곳

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

合肥翰刚医药科技有限公司+8618062405514 · [email protected]

INTATRADE GmbH+49 3493/605464 · [email protected]

河北创海生物科技有限公司+86-86-13131129325 · [email protected]

추가 설명 · 4건

순도시험(1) 융점 : 이 품목의 융점은 53℃이상이어야 한다. (2) 용상 : 이 품목 1g에 95% 에탄올 5mL를 넣어 30℃로 가온하여 녹일 때, 그 액은 징명하여야 한다. (3) 염소화합물 : 이 품목은 향료시험법 중 할로겐시험법의 동망법에 따라 시험할 때, 이에 적합하여야 한다. (4) 비소 : 이 품목을 비소시험법에 따라 시험할 때, 그 양은 4.0ppm 이하이어야 한다. (5) 납 : 이 품목 5.0g을 취하여 원자흡광광도법 또는 유도결합플라즈마발광광도법에 따라 시험할 때, 그 양은 2.0ppm 이하이어야 한다.

확인시험(1) 이 품목 0.1g과 아연분말 3g을 잘 섞어 흔들어 섞으면서 직화로 강하게 가열하면 나프탈린의 냄새가 발생한다. (2) 이 품목의 알콜용액(1→100) 1mL에 니트로프루시드나트륨시액 2방울을 넣은 후 수산화나트륨시액 6방울을 넣어 흔들어 섞으면 적자색을 나타낸다. 다시 여기에 빙초산 3방울을 넣으면 청색을 나타낸다.

정량법이 품목 약 1g을 정밀히 달아 향료시험법 중 알데히드류 및 케톤류함량측정법의 히드록실아민법 제2법에 따라 시험한다. 다만, 가열시간은 1시간으로 한다.0.5N 염산 1mL＝85.11mg C12H10O

정의ChEBI: 2-acetylnaphthalene is a naphthyl ketone that is naphthalene substituted at position 2 by an acetyl group.

연결된 노트

불러오는 중…

베타-메틸 나프틸 케톤

기본 정보

개요