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

이름 및 식별자

우선 이름: 6-Methyl-2-heptanone
IUPAC: 6-methylheptan-2-one
현지명: 6-메틸-2-헵타논
영어명: 6-Methyl-2-heptanone
분자식: C8H16O
분자량: 128.21

이름 및 동의어

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

이름 더 보기

6-메틸-2-헵타논6-메틸-2-헵타논(6-METHYL-2-HEPTANONE)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

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP: 2.2
극성 표면적: 17.1 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 4
무거운 원자 수: 9
형식 전하: 0
복잡도: 84

실험 및 물리화학적 성질

Density0.8151 @ 20°C

Boiling Point167 °C @760 [mm Hg]

Physical DescriptionLiquid; [IUCLID]

Kovats Retention Index · 3건

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

물리화학적 성질

녹는점: -32.24 °C · -32.24°C (estimate)
끓는 점: 171 °C · 171°C
밀도: 0 · 0,82 g/cm3
굴절률: 1.411 · 1.4110-1.4160
저장 조건: Sealed in dry,Room Temperature
용해도: 클로로포름(소량으로 용해), 에틸아세테이트(약간 용해됨)
물리적 상태: 기름
색상: 무색
냄새: 장뇌 냄새
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: 2 · 2-Heptanone, 6-methyl- (928-68-7)

안전 및 규제

GHS 분류

GHS Classification · 6건

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.

유해성 정보

Regulatory Information · 3건

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 · 2건

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

안전 및 보호

Protective Action Criteria (PAC) · 3건

75 [ppm]

500 [ppm]

3000 [ppm]

독성 정보

Adverse EffectsNeurotoxin - Acute solvent syndrome

규제 정보

Regulatory Information · 3건

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

안전 데이터

wgk: WGK 1
tsca: TSCA listed
ridadr: 1224
HS 번호: 2914199090
risk_code: 10-36
hazard_code: Xi
safety_code: 16-26
포장분류: III
위험 등급: 3.2
기존화학 물질: KE-24177
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

용도 및 제조

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

응용 분야

용도6-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.