기본 정보
- CAS
5697-02-9- 표준 SMILES
CC(=O)Oc1c(C)ccc2ccccc12- InChIKey
WVOAPRDRMLHUMI-UHFFFAOYSA-N- 분자식
- C13H12O2
- 평균 분자량
- 200.23 g/mol
- 단동위원소 질량
- 200.08372962
이름 및 식별자
- 우선 이름
- 1-Acetoxy-2-methylnaphthalene
- IUPAC
- (2-methylnaphthalen-1-yl) acetate
- 현지명
- 1-아세톡시-2-메틸나프탈렌
- 영어명
- 1-Acetoxy-2-met hoxynaphthalene
- 분자식
- C13H12O2
- 분자량
- 200.23
이름 및 동의어
2-Methyl-1-naphthyl Acetate1-Acetoxy-2-methylnaphthalene5697-02-9(2-methylnaphthalen-1-yl) Acetate1-Naphthalenol, 2-methyl-, acetate1-Naphthol, 2-methyl-, acetate6I1S02A5B92-METHYL-1-NAPHTHOL ACETATE1-Naphthalenol, 2-methyl-, 1-acetate1-Acetoxy-2-methylnaphthalene [INCI]DTXSID30205546RefChem:428954
이름 더 보기
1-아세톡시-2-메틸나프탈렌1-아세톡시-2-메트옥시나프탈렌2-METHYL-1-NAPHTHOLACETATE2-Methyl-1-naphthylAcetate>1-acetoxy-2-met hoxynaphthalene2-METHYL-1-NAPHTHOL ACETATE,97+%1-Naphthalenol, 2-methyl-, AcetatAcetic Acid 2-Methyl-1-naphthyl Ester 1-Acetoxy-2-methylnaphthalene
DTXCID60128037454-690-71-Acetoxy-2-met hoxynaphthalene2-METHYLNAPHTHALEN-1-YL ACETATEMFCD09038535UNII-6I1S02A5B9(2-methyl-1-naphthyl) acetateAcetic Acid 2-Methyl-1-naphthyl Ester
데이터베이스 식별자
- CAS
5697-02-9- PubChem CID
- 11805727
- DTXSID
DTXSID30205546- UNII
- 6I1S02A5B9
- EC Number
- 454-690-7、634-676-9
- Nikkaji
- J2.649.799J
물성
구조 계산 물성
- XLogP
- 3.3
- 극성 표면적
- 26.3 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 15
- 형식 전하
- 0
- 복잡도
- 237
물리화학적 성질
- 녹는점
- 82 °C · 82 °C
- 끓는 점
- 319.4 · 319.4±11.0 °C(Predicted)
- 밀도
- 1.128 · 1.128±0.06 g/cm3(Predicted)
- 용해도
- 메탄올에 용해됨
- 물리적 상태
- powder to crystal
- 색상
- White to Light yellow to Light orange
- 화장품 원료 기능
- 머리 염색
- InChI
- 1S/C13H12O2/c1-9-7-8-11-5-3-4-6-12(11)13(9)15-10(2)14/h3-8H,1-2H3
- InChIKey
- WVOAPRDRMLHUMI-UHFFFAOYSA-N
- SMILES
- CC(=O)Oc1c(C)ccc2ccccc12
- LogP
- 3.193 · 3.193 (est)
안전 및 규제
GHS 분류
GHS Classification
Danger
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；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.
유해성 정보
Regulatory InformationStatus: Active Update: 10-11-2008 https://echa.europa.eu/registration-dossier/-/registered-dossier/3870
Hazard Classes and Categories
Skin Sens. 1 (100%)；Aquatic Chronic 2 (100%)
Skin Irrit. 2 (100%)；Eye Dam. 1 (100%)；STOT SE 3 (100%)
규제 정보
Regulatory InformationStatus: Active Update: 10-11-2008 https://echa.europa.eu/registration-dossier/-/registered-dossier/3870
안전 데이터
- wgk
- WGK 2
- HS 번호
- 2916.12.1000
- risk_code
- 36
화학 및 산업
용도 및 제조
Household ProductsInformation on 24 consumer products that contain 1-Acetoxy-2-Methylnaphthalene in the following categories is provided:；• Personal Care
상·하류 제품 정보
상류 원료
하류 제품
공급사23 곳
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
Aladdin Scientific[email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
ChemeGen 中国18818260767 · [email protected]
TCI AMERICA800-4238616 · [email protected]
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