1,3-Cyclohexanedione, 2-acetyl-5,5-dimethyl- (HCID 519448)

이름 및 식별자

우선 이름: 1,3-Cyclohexanedione, 2-acetyl-5,5-dimethyl-
IUPAC: 2-acetyl-5,5-dimethylcyclohexane-1,3-dione
현지명: 2-아세틸디메돈
영어명: 2-ACETYLDIMEDONE
분자식: C10H14O3
분자량: 182.22

이름 및 동의어

1755-15-31,3-Cyclohexanedione, 2-acetyl-5,5-dimethyl-RefChem:414176626-974-22-acetyl-5,5-dimethylcyclohexane-1,3-dione2-Acetyldimedone2-Acetyl-5,5-dimethyl-1,3-cyclohexanedioneMFCD004676632-acetyl-5,5-dimethyl-cyclohexane-1,3-dioneDTXSID50334029AKOS0017523561-acetyl-4,4-dimethyl-2,6-dioxocyclohexane

이름 더 보기

2-아세틸디메돈DDEDDE-OH2-Acetyldimdone2-Acetyldimedone, Dde2-Acetyl-5,5-dimethyl-1,3-cyclohexadion2-ACETYL-5,5-DIMETHYL-CYCLOHEXAN-1,3-DIONE

CS-0198991N12047Cyclohexane-1,3-dione, 2-acetyl-5,5-dimethyl-SR-010005239972-Acetyl-5,5-dimethyl-1,3-cyclohexanedione, >=98.0% (HPLC)2-acetyl-dimedoneFT-0624468A881568

데이터베이스 식별자

CAS: 1755-15-3
PubChem CID: 519448
DTXSID: DTXSID50334029
EC Number: 626-974-2
Nikkaji: J2.031.205J

물성

구조 계산 물성

XLogP: 0.8
극성 표면적: 51.2 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 1
무거운 원자 수: 13
형식 전하: 0
복잡도: 256

물리화학적 성질

녹는점: 36 · 36-40 °C
끓는 점: 132 · 132-133 °C
밀도: 1.077 · 1.077±0.06 g/cm3(Predicted)
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C
용해도: 메탄올에 용해됨
물리적 상태: powder to lump to clear liquid
산도 계수 (pKa): 3.56 · 3.56±0.42(Predicted)
색상: White or Colorless to Yellow
BRN: 2089698 · 2089698
주요 응용: 펩타이드 합성
InChI: InChI=1S/C10H14O3/c1-6(11)9-7(12)4-10(2,3)5-8(9)13/h9H,4-5H2,1-3H3
InChIKey: ITSKWKZDPHAQNK-UHFFFAOYSA-N
SMILES: C1(=O)CC(C)(C)CC(=O)C1C(C)=O

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.6%): 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+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 42 reports by companies from 5 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 Information1,3-Cyclohexanedione, 2-acetyl-5,5-dimethyl-: 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 CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (97.6%)

규제 정보

Regulatory Information1,3-Cyclohexanedione, 2-acetyl-5,5-dimethyl-: 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.

안전 데이터

wgk: 3
독성: Principal metabolite of DDT in humans and other animals. Principal long-term storage form derived from DDT in humans and other animals. Biological half-life of several years. DDE is probably related to the chronic toxic effects of DDT such as eggshell thinning. It has been suggested recently that DDT, its metabolites, and other persistent organochlorines are possibly involved in cancer causation, particularly human breast cancer.
HS 번호: 2914290090
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids