Methoxymethylbutanol (HCID 62118)

이름 및 식별자

우선 이름: Methoxymethylbutanol
IUPAC: 3-methoxy-3-methylbutan-1-ol
현지명: 3-메틸-3-메톡시 부탄올
영어명: 3-Methyl-3-methoxybutanol
분자식: C6H14O2
분자량: 118.17

이름 및 동의어

3-Methoxy-3-methylbutan-1-ol56539-66-33-Methoxy-3-methyl-1-butanol3-Methyl-3-methoxybutanol3-Methoxy-3-methylbutanolMETHOXYMETHYLBUTANOL1-Butanol, 3-methoxy-3-methyl-Solfit S 1103-methyl-3-methoxy-1-butanol3-Methxoy-3-methylbutan-1-olDTXSID8044389EINECS 260-252-4

이름 더 보기

1-부탄올,3-메톡시-3-메틸-3-메톡시-3-메틸-1-부탄올3-메틸-3-메톡시부탄올메톡시메틸부탄올3-메톡시-3-메틸-1-부탄올(3-METHOXY-3-METHYL-1-BUTANOL)3-메틸-3-메톡시 부탄올1-부탄올, 3-메톡시-3-메틸3-메톡시-3-메틸부탄-1-올솔피트MMB3-methoxy-3-methyl-1-butano3-Methoxyisobutanol3-Methyl-3-methoxybuMethyl methoxy butanol

EC 260-252-4366754K2K13-methyl-3-(methyloxy)butan-1-ol3-Methyl-3-methoxy-1-hydroxybutaneDTXCID6024389MFKRHJVUCZRDTF-UHFFFAOYSA-RefChem:811820METHOXYMETHYLBUTANOL [INCI]

데이터베이스 식별자

CAS: 56539-66-3
PubChem CID: 62118
DTXSID: DTXSID8044389
ChEMBL: CHEMBL3188023
UNII: 366754K2K1
EC Number: 260-252-4
Nikkaji: J38.165I

물성

구조 계산 물성

XLogP: 0.4
극성 표면적: 29.5 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 3
무거운 원자 수: 8
형식 전하: 0
복잡도: 59

실험 및 물리화학적 성질

Physical DescriptionCBI; Liquid

Kovats Retention Index1434

물리화학적 성질

녹는점: -50 °C · -50 °C
끓는 점: 173 · 173-175 °C(lit.)
밀도: 0.926 g/mL · 0.926 g/mL at 20 °C(lit.)
증기압: 47 Pa · 47Pa at 20℃
굴절률: 20 · n20/D 1.428(lit.)
인화점: 160 °F · 160 °F
저장 조건: Store at room temperature
용해도: 클로로포름(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태: 액체
산도 계수 (pKa): 15.19 · 15.19±0.10(Predicted)
색상: 무색의
냄새: 거의 무취
수용성: 물에 용해됩니다.
BRN: 1732882 · 1732882
화장품 원료 기능: 용제
InChI: InChI=1S/C6H14O2/c1-6(2,8-3)4-5-7/h7H,4-5H2,1-3H3
InChIKey: MFKRHJVUCZRDTF-UHFFFAOYSA-N
SMILES: C(O)CC(OC)(C)C
LogP: 0.18 at · 0.18 at 25℃
EPA: 1 · 1-Butanol, 3-methoxy-3-methyl- (56539-66-3)

화학적 성질

clear colourless liquid

안전 및 규제

GHS 분류

GHS Classification · 6건

This chemical does not meet GHS hazard criteria for < 0.1% (2 of 2016) of reports.

Warning

H319 (99.2%): 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 2016 reports by companies from 7 notifications to the ECHA C&L Inventory.；Reported as not meeting GHS hazard criteria per 2 of 2016 reports by companies.；There are 6 notifications provided by 2014 of 2016 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 · 4건

Chemical: 1-Butanol, 3-methoxy-3-methyl-

1-Butanol, 3-methoxy-3-methyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1-Butanol, 3-methoxy-3-methyl- 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: 18-08-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/10042

1-Butanol, 3-methoxy-3-methyl-: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationIMAP assessments - 1-Butanol, 3-methoxy-3-methyl-: Human health tier I assessment；IMAP assessments - 1-Butanol, 3-methoxy-3-methyl-: Environment tier I assessment

EPA Safer ChemicalChemical: 3-Methyl-3-methoxybutanol； Green half-circle - The chemical is expected to be of low concern based on experimental and modeled data. Additional data would strengthen EPA's confidence in the chemical's safer status.

Hazard Classes and Categories · 2건

Eye Irrit. 2A (99.2%)

Flammable liquids - Category 4；Serious eye damage/eye irritation - Category 2A

규제 정보

Regulatory Information · 4건

Chemical: 1-Butanol, 3-methoxy-3-methyl-

1-Butanol, 3-methoxy-3-methyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1-Butanol, 3-methoxy-3-methyl- 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: 18-08-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/10042

1-Butanol, 3-methoxy-3-methyl-: Does not have an individual approval but may be used under an appropriate group standard

안전 데이터

wgk: 3
tsca: TSCA listed
HS 번호: 29094990
risk_code: 36
hazard_code: Xi
safety_code: 23-24/25-36/37/39-26
기존화학 물질: KE-24367
Hazard Classifications: Eye Irrit. 2
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

용도 및 제조

U.S. Production2023: 1,000,000 - <2,500,000 lb；2022: 1,000,000 - <2,500,000 lb；2021: 1,000,000 - <2,500,000 lb；2020: 700,000 - <850,000 lb

Consumer UsesFragrance；Not Known or Reasonably Ascertainable；Solvent

Industry UsesAbrasives；Fragrance；Cleaning agent；Not Known or Reasonably Ascertainable

Household ProductsInformation on 4 consumer products that contain Methoxymethylbutanol in the following categories is provided:；• Inside the Home

Use Classification · 4건

EPA Safer Chemical Functional Use Classes -> Solvents

Safer Chemical Classes -> Green half-circle - The chemical is expected to be of low concern

Fragrance Ingredients

Cosmetics -> Solvent

General Manufacturing Information · 2건

Electrical Equipment, Appliance, and Component Manufacturing；Miscellaneous Manufacturing；Not Known or Reasonably Ascertainable；All Other Chemical Product and Preparation Manufacturing

1-Butanol, 3-methoxy-3-methyl-: ACTIVE

응용 분야 · 2건

용도3-Methoxy-3-methyl-1-butanol is a solvent that compares favorably with its isomer ethylene glycol monobutyl ether. It is employed as raw material for the production of industrial detergents. It is also used as solvent for paints, inks, and fragrances.

일반 설명3-Methoxy-3-methyl-1-butanol is widely used as solvent for paints, inks, and fragrances. Kinetics of the reaction of 3-methoxy-3-methyl-1-butanol with OH radicals using a relative rate method has been reported. It has been identified as oxidation products of dyes such as methyl yellow, methyl red and methyl orange.