CAS 928-68-7 6-Methyl-2-heptanone (HCID 13572)

名称と識別子

優先名称: 6-Methyl-2-heptanone
IUPAC: 6-methylheptan-2-one
現地名: 6-メチル-2-ヘプタノン
英語名: 6-Methyl-2-heptanone
分子式: C8H16O
分子量: 128.21

名称と別名

6-Methylheptan-2-one928-68-76-METHYL-2-HEPTANONE2-Heptanone, 6-methyl-2-Methyl-6-heptanone2-IsooctanoneMethyl isohexyl ketoneN203Q7UI56NSC-39665DTXSID7061302RefChem:473855DTXCID3048819

名称をさらに表示

6-メチル-2-ヘプタノンイソヘキシルメチルケトン6-メチルヘプタン-2-オンメチル4-メチルペンチルケトン2-Heptanone,6-methyl-6-methyl-2-heptanonDK953NSC 39665-2-heptanoneIsooctan-2-oneiso-Amylacetoneiso-Pentylacetone

213-179-7MFCD000265276-methyl-heptan-2-oneMethyl 4-Methylpentyl KetoneUNII-N203Q7UI562-Isooctanone; 2-Methyl-6-heptanone; 6-Methyl-2-heptanone; Isooctan-2-one; Methyl isohexyl ketone; NSC 39665NSC39665EINECS 213-179-7

データベース識別子

CAS: 928-68-7
PubChem CID: 13572
DTXSID: DTXSID7061302
ChEBI: CHEBI:184396
UNII: N203Q7UI56
EC Number: 213-179-7
Nikkaji: J7.176E

物性

構造計算による物性

XLogP: 2.2
極性表面積: 17.1 Å²
水素結合供与体数: 0
水素結合受容体数: 1
回転可能結合数: 4
重原子数: 9
形式電荷: 0
複雑度: 84

実験および物理化学的性質

Density0.8151 @ 20°C

Boiling Point167 °C @760 [mm Hg]

Physical DescriptionLiquid; [IUCLID]

Kovats Retention Index · 3 件

947；957；957；957

932；956；957；962；954；957；956；954；949；955；954；965；955.1；963

1228；1236；1259；1247；1247；1247；1236；1237；1228；1221

物理化学的性質

融点: -32.24 °C · -32.24°C (estimate)
沸点: 171 °C · 171°C
比重(密度): 0 · 0,82 g/cm3
屈折率: 1.411 · 1.4110-1.4160
貯蔵温度: Sealed in dry,Room Temperature
溶解性: クロロホルム（少量）、酢酸エチル（少量）
外見: 油
色: 無色
臭い (Odor): 樟脳の香り
InChI: 1S/C8H16O/c1-7(2)5-4-6-8(3)9/h7H,4-6H2,1-3H3
InChIKey: DPLGXGDPPMLJHN-UHFFFAOYSA-N
SMILES: CC(C)CCCC(C)=O
LogP: 2.35 · 2.350 (est)
EPAの化学物質情報: 2 · 2-Heptanone, 6-methyl- (928-68-7)

安全と法規制

GHS分類

GHS Classification · 6 件

This chemical does not meet GHS hazard criteria for 7% (3 of 43) of reports.

Warning

H319 (90.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)

Aggregated GHS information provided per 43 reports by companies from 4 notifications to the ECHA C&L Inventory.；Reported as not meeting GHS hazard criteria per 3 of 43 reports by companies.；There are 3 notifications provided by 40 of 43 reports by companies with hazard statement code(s).；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 Information · 3 件

Chemical: 2-Heptanone, 6-methyl-

Commission Regulation (EC) No 1565/2000 (Repealed by Com.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

2-Heptanone, 6-methyl-: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryNo mortalities observed in rats exposed to saturated vapor for 8 hours; Not irritating to rabbit skin or eyes; [IUCLID] May cause irritation; [Sigma-Aldrich MSDS] See Diisobutyl ketone.

Hazard Classes and Categories · 2 件

Eye Irrit. 2A (90.7%)

Flammable liquids - Category 3；Hazardous to the aquatic environment (Acute) - Category 3；Hazardous to the aquatic environment (Long-term) - Category 3

安全と保護具

Protective Action Criteria (PAC) · 3 件

75 [ppm]

500 [ppm]

3000 [ppm]

毒性情報

Adverse EffectsNeurotoxin - Acute solvent syndrome

法規制情報

Regulatory Information · 3 件

Chemical: 2-Heptanone, 6-methyl-

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

2-Heptanone, 6-methyl-: Does not have an individual approval but may be used under an appropriate group standard

安全データ

wgk: WGK 1
tsca: TSCA listed
ridadr: 1224
hs_code: 2914199090
risk_code: 10-36
化審法: (2)-542
消防法: 危-4-2-III
hazard_code: Xi
safety_code: 16-26
hazard_class: 3.2
packing_group: III
ストレージクラス: 10 - Combustible liquids

化学と産業

用途と製造

General Manufacturing Information2-Heptanone, 6-methyl-: ACTIVE

応用分野

用途化学工業用中間体

使用6-Methyl-2-heptanone is used in the synthesis of antifungal crassinervic acid analogs. Also used in the synthesis of BACE-1 inhibitors in the treatment of Alzheimer’s disease.