4-메톡시-1-부탄올

1-Butanol, 4-methoxy-

HCID 8107CAS 111-32-0

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: COCCCCO
InChIKey: KOVAQMSVARJMPH-UHFFFAOYSA-N
분자식: C5H12O2
평균 분자량: 104.15 g/mol
단동위원소 질량: 104.08372962

이름 및 식별자

우선 이름: 1-Butanol, 4-methoxy-
IUPAC: 4-methoxybutan-1-ol
현지명: 4-메톡시-1-부탄올
영어명: 4-Methoxy-1-butanol
분자식: C5H12O2
분자량: 104.15

이름 및 동의어

4-Methoxybutan-1-ol111-32-04-METHOXY-1-BUTANOL1-Butanol, 4-methoxy-Dowanol BMATDowanol bm4-Methoxybutyl alcoholDowanal BMATButylene glycol monomethyl etherNSC 245191EINECS 203-858-6BRN 1732309

이름 더 보기

4-메톡시-1-부탄올4-methoxy-1-butano4-METHOXYBUTANOL-14-methoxybutylalcohol2-tert-butoxyacetamide

DTXSID50149438RefChem:430890DTXCID9071929203-858-6Butylene glycol methyl ether1,4-Butanediol Monomethyl Ether4-MethoxybutanolMFCD00040437

데이터베이스 식별자

CAS: 111-32-0
PubChem CID: 8107
DTXSID: DTXSID50149438
UNII: AH4W8HA8JH
EC Number: 203-858-6
Nikkaji: J49.693F

물성

구조 계산 물성

XLogP: 0.1
극성 표면적: 29.5 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 4
무거운 원자 수: 7
형식 전하: 0
복잡도: 29

실험 및 물리화학적 성질

Kovats Retention Index886

물리화학적 성질

끓는 점: 66 °C · 66 °C / 7mmHg
밀도: 0.93 · 0.93
굴절률: 1.419 · 1.4190-1.4330
인화점: 73 ° · 73°(163°F)
저장 조건: Sealed in dry,Room Temperature
물리적 상태: 투명한 액체
산도 계수 (pKa): 15.08 · 15.08±0.10(Predicted)
색상: 무색 내지 거의 무색
수용성: 물에 약간 용해됩니다.
NIST: 1 · 1-Butanol, 4-methoxy-(111-32-0)

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H226 (66.7%): Flammable liquid and vapor [Warning Flammable liquids]；H227 (33.3%): Combustible liquid [Warning Flammable liquids]；H315 (66.7%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (66.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (66.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 3 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.

유해성 정보

Regulatory InformationButylene glycol methyl ether: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesFlam. Liq. 3 (66.7%)；Flam. Liq. 4 (33.3%)；Skin Irrit. 2 (66.7%)；Eye Irrit. 2A (66.7%)；STOT SE 3 (66.7%)

규제 정보

Regulatory InformationButylene glycol methyl ether: Does not have an individual approval but may be used under an appropriate group standard

안전 데이터

rtecs: EL4550000
ridadr: UN1993
HS 번호: 29094990
risk_code: 36/37/38-10
hazard_code: F
safety_code: 26-36/37/39-35-3/9/49-15
포장분류: III
위험 등급: 3

화학 및 산업

응용 분야

용도4-Methoxy-1-butanol is used as a chemicals, pharmaceutical intermediates, reagents. 4-Methoxy-1-butanol is used with n-butyl acetate to improve dissolving power, drying time, and flow.