기본 정보
- 표준 SMILES
CCOC(=O)NC- InChIKey
SURZCVYFPAXNGN-UHFFFAOYSA-N- 분자식
- C4H9NO2
- 평균 분자량
- 103.12 g/mol
- 단동위원소 질량
- 103.06332853
개요
N-methylcarbamic acid, ethyl ester is a clear colorless liquid. (NTP, 1992)
이름 및 식별자
- 우선 이름
- Carbamic acid, N-methyl-, ethyl ester
- IUPAC
- ethyl N-methylcarbamate
- 현지명
- N-메틸루레탄
- 영어명
- N-Methylurethane
- 분자식
- C4H9NO2
- 분자량
- 103.12
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
105-40-8- PubChem CID
- 7752
- DTXSID
DTXSID2031746- ChEMBL
CHEMBL1232511- UNII
- 1W34GCF5CS
- EC Number
- 203-295-6
- Nikkaji
- J55.518E
물성
구조 계산 물성
- XLogP
- 0.3
- 극성 표면적
- 38.3 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 7
- 형식 전하
- 0
- 복잡도
- 62.7
실험 및 물리화학적 성질
Density
1.011 at 66.9 °F (NTP, 1992) - Denser than water; will sink
1.0115 @ 20 °C/4 °C
Solubility
greater than or equal to 100 mg/mL at 68 °F (NTP, 1992)
VERY SOL IN WATER; SOLUBLE IN ALCOHOL
Boiling Point
338 °F at 760 mmHg (NTP, 1992)
170 °C @ 760 MM HG
Physical Description
N-methylcarbamic acid, ethyl ester is a clear colorless liquid. (NTP, 1992)
Clear colorless liquid; [CAMEO]
물리화학적 성질
- 끓는 점
- 170 °C · 170 °C
- 밀도
- 1.01 · 1.01
- 굴절률
- 1.418 · 1.418-1.42
- 인화점
- 61 °C · 61 °C
- 저장 조건
- Store at room temperature
- 물리적 상태
- 투명한 액체
- 산도 계수 (pKa)
- 13.02 · 13.02±0.46(Predicted)
- 색상
- 무색 내지 거의 무색
- 수용성
- 410 g/L · 410g/L(온도 미표시)
- EPA
- Ethyl methylcarbamate (105-40-8)
화학적 성질
Clear colorless to peach liquid
안전 및 규제
GHS 분류
GHS Classification
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P264, P270, P301+P316, P321, P330, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
유해성 정보
Reactivity Profile
N-METHYLCARBAMIC ACID, ETHYL ESTER is a carbamate ester. Carbamates are chemically similar to, but more reactive than amides. Like amides they form polymers such as polyurethane resins. Carbamates are incompatible with strong acids and bases, and especially incompatible with strong reducing agents such as hydrides. Flammable gaseous hydrogen is produced by the combination of active metals or nitrides with carbamates. Strongly oxidizing acids, peroxides, and hydroperoxides are incompatible with carbamates.
안전 및 보호
First Aid
EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.
Nonfire Spill Response
SMALL SPILLS AND LEAKAGE: If you spill this chemical, FIRST REMOVE ALL SOURCES OF IGNITION. Then, use absorbent paper to pick up all liquid spill material. Seal the absorbent paper, as well as any of your clothing which may be contaminated, in a vapor-tight plastic bag for eventual disposal. Wash any surfaces you may have contaminated with a soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.
Personal Protective Equipment (PPE)
RECOMMENDED RESPIRATOR: Where the neat test chemical is weighed and diluted, wear a NIOSH-approved half face respirator equipped with an organic vapor/acid gas cartridge (specific for organic vapors, HCl, acid gas and SO2) with a dust/mist filter. (NTP, 1992)
독성 정보
Non-Human Toxicity Excerpts
A SINGLE INTRAPERITONEAL DOSE WAS GIVEN TO PREGNANT HAMSTERS ON DAY 8 OF GESTATION & PRODUCED TERATOGENESIS BY DAY 13 OF GESTATION. TERATOGENIC EFFECTS IN HAMSTERS CORRELATED STRIKINGLY WITH SKIN TUMOR INITIATION & LUNG ADENOMAS IN MICE.
WHEN STUDIED IN THE METHIODINE-DEPENDENT STRAIN MET4-, D19, H- OF SCHIZOSACCHAROMYCES POMBE, N-METHYLURETHAN WAS NOT MUTAGENIC.
INTRAPERITONEAL INJECTIONS OF 2000 MUG/G INTO 10-DAY-OLD MICE CAUSED LYMPHOMAS.
METHYLURETHAN, A NONCARCINOGENIC ANALOGUE OF NITROSOMETHYLURETHAN, HAD NO EFFECT ON BIOSYNTHESIS OF C2 AND C4 COMPONENTS OF COMPLEMENT IN NORMAL GUINEA PIG PERITONEAL EXUDATE CELLS OR BY SPLEEN AND LIVER FRAGMENTS.
안전 데이터
- tsca
- TSCA listed
- rtecs
- FC2625000
- HS 번호
- 29161900
- risk_code
- 40
- hazard_code
- Xn
- safety_code
- 36/37
- 유해 물질 데이터
- 105-40-8(Hazardous Substances Data)
화학 및 산업
약리 정보
Metabolism/Metabolites
METHYLUREA WAS RAPIDLY NITROSATED WHEN O.005 MOLAR METHYLUREA & 0.01 MOLAR NITRITE WERE REACTED AT PH 2. NITROSATION OF N-METHYLURETHAN PROCEEDED MORE SLOWLY THAN METHYLUREA. RATE OF REACTION INCR NEARLY 10-FOLD FOR EACH 1 UNIT DROP IN PH.
UNDER CONDITIONS SIMILAR TO THOSE PREVALENT IN THE STOMACH, NITROSIFICATION OF METHYLURETHANE TO N,N-NITROMETHYLURETHANE DID OCCUR, BUT WAS MORE DIFFICULT THAN THAT OF OTHER NITROSAMINES.
용도 및 제조
Uses
Used as research chemical; No known commercial production in the US; [HSDB]
RESEARCH CHEMICAL
U.S. Exports
(1979) No Data
(1981) No Data
U.S. Imports
(1979) No Data
(1981) No Data
U.S. Production
(1979) NOT PRODUCED COMMERCIALLY IN U.S.
(1981) NOT PRODUCED COMMERCIALLY IN U.S.
응용 분야
용도N-Methylurethan is a byproduct in the synthesis of 3,5-Dimethyl-4-(methylthio)phenol (D474810), which is used as an insecticide and used the synthesis of methiocarb.
일반 설명Clear colorless liquid.
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