CAS 1755-15-3 1,3-Cyclohexanedione, 2-acetyl-5,5-dimethyl- (HCID 519448)

名称と識別子

優先名称: 1,3-Cyclohexanedione, 2-acetyl-5,5-dimethyl-
IUPAC: 2-acetyl-5,5-dimethylcyclohexane-1,3-dione
現地名: 2-アセチル-5,5-ジメチル-1,3-シクロヘキサンジオン
英語名: 2-ACETYLDIMEDONE
分子式: C10H14O3
分子量: 182.22

名称と別名

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

名称をさらに表示

2-アセチル-5,5-ジメチル-1,3-シクロヘキサンジオン2-アセチルジメドンDDEDDE-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

データベース識別子

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

物性

構造計算による物性

XLogP: 0.8
極性表面積: 51.2 Å²
水素結合供与体数: 0
水素結合受容体数: 3
回転可能結合数: 1
重原子数: 13
形式電荷: 0
複雑度: 256

物理化学的性質

融点: 36 · 36-40 °C
沸点: 132 · 132-133 °C
比重(密度): 1.077 · 1.077±0.06 g/cm3(Predicted)
貯蔵温度: 2 · under inert gas (nitrogen or Argon) at 2-8°C
溶解性: soluble in Methanol
外見: powder to lump to clear liquid
酸解離定数(Pka): 3.56 · 3.56±0.42(Predicted)
色: White or Colorless to Yellow
BRN: 2089698 · 2089698
主な用途: ペプチド合成
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
CAS データベース: 1755 · 1755-15-3

安全と法規制

GHS分類

GHS Classification · 5 件

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.

危険有害性情報

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%)

法規制情報

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.

安全データ

wgk: 3
毒性: 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_code: 2914290090
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
ストレージクラス: 11 - Combustible Solids