2,6-Dimethyl-2-heptanol (HCID 83268)

이름 및 식별자

우선 이름: 2,6-Dimethyl-2-heptanol
IUPAC: 2,6-dimethylheptan-2-ol
현지명: 2,6-디메틸-2-헵탄올
영어명: 2,6-Dimethyl-2-heptanol
분자식: C9H20O
분자량: 144.25

이름 및 동의어

2,6-Dimethyl-2-heptanol2,6-Dimethylheptan-2-ol13254-34-72-Heptanol, 2,6-dimethyl-DimetolFreesiolLolitolDTXSID6041424DTXCID4021424991142090ZRefChem:83282236-244-1

이름 더 보기

2,6-디메틸-2-헵탄올2,6-Dimetolfreesia heptanolDIMETOL (code:4609001)2,6-dimethyl-2-heptano2,6-dimethylheptan-1-ol

MFCD00072198EINECS 236-244-1BRN 1733525UNII-991142090ZSCHEMBL818852-01-00-00457 (Beilstein Handbook Reference)2,6-Dimethyl-2-heptanol #2,6-Dimethyl n-heptan-2-ol

데이터베이스 식별자

CAS: 13254-34-7
PubChem CID: 83268
DTXSID: DTXSID6041424
ChEMBL: CHEMBL3187118
UNII: 991142090Z
EC Number: 236-244-1
Nikkaji: J1.972.958C

물성

구조 계산 물성

XLogP: 2.7
극성 표면적: 20.2 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 1
회전 가능 결합 수: 4
무거운 원자 수: 10
형식 전하: 0
복잡도: 84

실험 및 물리화학적 성질

Physical DescriptionLiquid; CBI

Kovats Retention Index1023

물리화학적 성질

녹는점: -10 °C · -10 °C
끓는 점: 180 °C · 180 °C
밀도: 0.81 · 0.81
증기압: 18.5 Pa · 18.5Pa at 20℃
굴절률: 1.425 · 1.425-1.427
인화점: 63 °C · 63 °C
저장 조건: 2 · Storage temp. 2-8°C
물리적 상태: solid
산도 계수 (pKa): 15.34 · 15.34±0.29(Predicted)
냄새: 100 %에서 · 100.00%에서. 신선한 디히드로리나룰 꽃무늬 우디 감귤류 허브
냄새 유형: 약초
수용성: 약간 용해됨
Henry's Law Constant: 5.9 · 5.9×10-2 mol/(m3Pa) at 25℃, Yaws (2003)
화장품 원료 기능: 향수
InChI: 1S/C9H20O/c1-8(2)6-5-7-9(3,4)10/h8,10H,5-7H2,1-4H3
InChIKey: HGDVHRITTGWMJK-UHFFFAOYSA-N
SMILES: CC(C)CCCC(C)(C)O
LogP: 3 · 3
NIST: 2 · 2-Heptanol, 2,6-dimethyl-(13254-34-7)
EPA: 2 · 2-Heptanol, 2,6-dimethyl- (13254-34-7)

화학적 성질 · 1건

2,6-Dimethyl-2-heptanol has not yet been found in nature, is a colorless liquid with a delicate, floral odor reminiscent of freesias. It is synthesized from 6-methyl-5-hepten-2-one and methylmagnesium chloride by a Grignard reaction, followed by hydrogenation, and is used in floral perfume compositions.

안전 및 규제

GHS 분류

GHS Classification · 6건

This chemical does not meet GHS hazard criteria for 0.2% (4 of 1853) of reports.

Warning

H315 (99.8%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (99.8%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)

Aggregated GHS information provided per 1853 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Reported as not meeting GHS hazard criteria per 4 of 1853 reports by companies.；There are 5 notifications provided by 1849 of 1853 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 · 5건

Chemical: 2-Heptanol, 2,6-dimethyl-

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

2-Heptanol, 2,6-dimethyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2-Heptanol, 2,6-dimethyl- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

Status: Active Update: 25-11-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/19403

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

Hazard Classes and CategoriesSkin Irrit. 2 (99.8%)；Eye Irrit. 2 (99.8%)

규제 정보

Regulatory Information · 5건

Chemical: 2-Heptanol, 2,6-dimethyl-

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

2-Heptanol, 2,6-dimethyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2-Heptanol, 2,6-dimethyl- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

Status: Active Update: 25-11-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/19403

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

안전 데이터

wgk: WGK 1
tsca: TSCA listed
risk_code: 41
safety_code: 24/25-39-26
기존화학 물질: KE-11431
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

용도 및 제조

U.S. Production2023: 7,000,000 - <8,500,000 lb；2022: 8,500,000 - <10,000,000 lb；2021: 8,500,000 - <10,000,000 lb；2020: 8,500,000 - <10,000,000 lb

Consumer UsesFragrance

Industry UsesFragrance

Household ProductsInformation on 39 consumer products that contain 2,6-Dimethylheptanol in the following categories is provided:；• Auto Products；• Commercial / Institutional；• Inside the Home

Use ClassificationFragrance Ingredients

General Manufacturing Information · 2건

Soap, Cleaning Compound, and Toilet Preparation Manufacturing；All Other Chemical Product and Preparation Manufacturing

2-Heptanol, 2,6-dimethyl-: ACTIVE

응용 분야

용도2,6-Dimethyl-2-heptanol is used in preparation and analytical study of perfumes . It is also used in preparation of 3''-ketoglycoside compounds with insect repellent effect.

제조 방법

생산 방법2,6- Dimethyl-2-heptanol is prepared from the reaction of methyl heptenone and methyl magnesium halide, followed by hydrogenation.

상·하류 제품 정보

상류 원료

메틸(2-)-2-헵텐-6-온

하류 제품

2-클로로-2,6-디메틸헵탄

공급사50 곳

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]

湖北万得化工有限公司15377098680 15377098680 · [email protected]

毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]

연결된 노트

불러오는 중…

2,6-디메틸-2-헵탄올

기본 정보