カルバミン酸イソプロピル

Isopropyl carbamate

HCID 15628CAS 1746-77-6

基本情報

標準SMILES
CC(C)OC(N)=O
InChIKey
OVPLZYJGTGDFNB-UHFFFAOYSA-N
分子式
C4H9NO2
平均分子量
103.12 g/mol
単同位体質量
103.06332853

名称と識別子

優先名称
Isopropyl carbamate
IUPAC
propan-2-yl carbamate
現地名
カルバミン酸イソプロピル
英語名
CARBAMIC ACID ISOPROPYL ESTER
分子式
C4H9NO2
分子量
103.12

名称と別名

ISOPROPYL CARBAMATE1746-77-6propan-2-yl carbamateCarbamic acid, 1-methylethyl esterCarbamic acid, isopropyl esterIsopropyl-N-carbamateHSDB 2596Isopropylester kyseliny karbaminoveIsopropylester kyseliny karbaminove [Czech]EINECS 217-127-410VF1I9JWINSC 60539
名称をさらに表示
カルバミン酸イソプロピルカルバミド酸イソプロピルイソプロピルカルバメートカルバミン酸イソ-プロピルエステルプロパン-2-イル カルバマートIsopropyl Carbamate >Carbamic acid isopropylChlorpropham Impurity 4CARBAMIC ACID ISOPROPYL ESTERcarbamicacid,1-methylethylesterisopropylesterkyselinykarbaminove
BRN 1743047OVPLZYJGTGDFNB-UHFFFAOYSA-ISOPROPYL CARBAMATE [HSDB]NSC-60539DTXSID90517954-03-00-00053 (Beilstein Handbook Reference)IsopropylNcarbamateRefChem:792161

データベース識別子

CAS
1746-77-6
PubChem CID
15628
DTXSID
DTXSID9051795
UNII
10VF1I9JWI
EC Number
217-127-4
Nikkaji
J3.678A

物性

構造計算による物性

XLogP
0.3
極性表面積
52.3 Ų
水素結合供与体数
1
水素結合受容体数
2
回転可能結合数
2
重原子数
7

実験および物理化学的性質

Density0.9951 AT 66 °C
Color/FormNEEDLES
SolubilityVery soluble in water, alcohol, and ether.
Boiling Point183 °C
DecompositionWhen heated to decomposition it emits toxic fumes of NOx.
Melting Point93 °C

物理化学的性質

融点
94 °C · 94°C
沸点
183 °C · 183 °C
比重(密度)
1.01 · 1.010
屈折率
1.4203 · 1.4203 (estimate)
闪点
90 ℃ · 90℃
貯蔵温度
Keep in dark place,Inert atmosphere,Room temperature

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 41 reports by companies from 2 notifications to the ECHA C&L Inventory.;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.

危険有害性情報

Hazards SummaryA mutagen and tumorigen; Causes somnolence in subcutaneous, lethal-dose studies of mice; [RTECS] May cause irritation; [MSDSonline]
Hazard Classes and CategoriesAcute Tox. 4 (100%)

安全と保護具

Disposal Methods · 1 件

SRP: At the time of review, criteria for land treatment or burial (sanitary landfill) disposal practices are subject to significant revision. Prior to implementing land disposal of waste residue (including waste sludge), consult with environmental regulatory agencies for guidance on acceptable disposal practices.

毒性情報

Environmental Fate · 3 件

TERRESTRIAL FATE: Based on a recommended classification scheme(1), an estimated Koc value of 18(SRC), determined from a structure estimation method(2), indicates that isopropyl carbamate is expected to have very high mobility in soil(SRC). Volatilization of isopropyl carbamate from moist soil surfaces is not expected to be important(SRC) given an estimated Henry's Law constant of 7.0X10-8 atm-cu m/mole(SRC), using a fragment constant estimation method(3).

AQUATIC FATE: Based on a recommended classification scheme(1), an estimated Koc value of 18(SRC), determined from a structure estimation method(2), indicates that isopropyl carbamate is not expected to adsorb to suspended solids and sediment in water(SRC). Isopropyl carbamate is not expected to volatilize from water surfaces(3,SRC) based on an estimated Henry's Law constant of 7.0X10-8 atm-cu m/mole(SRC), developed using a fragment constant estimation method(4). According to a classification scheme(5), an estimated BCF of 1.2(3,SRC), from an estimated log Kow(6,SRC), suggests that bioconcentration in aquatic organisms is low(SRC).

ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), isopropyl carbamate, which has an estimated vapor pressure of 0.17 mm Hg at 25 °C(2,SRC), is expected to exist solely as a vapor in the ambient atmosphere. Vapor-phase isopropyl carbamate is degraded in the atmosphere by reaction with photochemically-produced hydroxyl radicals(SRC); the half-life for this reaction in air is estimated to be 1.3 days(3,SRC).

Soil Adsorption/Mobility · 1 件

Using a structure estimation method based on molecular connectivity indices(1), the Koc for isopropyl carbamate was estimated to be 18(SRC). According to a recommended classification scheme(2), this estimated Koc value suggests that isopropyl carbamate is expected to have very high mobility in soil(SRC).

Environmental Bioconcentration · 1 件

An estimated BCF of 1.2 was calculated for isopropyl carbamate(SRC), using an estimated log Kow of 0.40(1,SRC) and a recommended regression-derived equation(2). According to a classification scheme(3), this BCF suggests that bioconcentration in aquatic organisms is low(SRC).

Volatilization from Water/Soil · 1 件

The Henry's Law constant for isopropyl carbamate is estimated as 7.0X10-8 atm-cu m/mole(SRC) using a fragment constant estimation method(1). This value indicates that isopropyl carbamate will be essentially nonvolatile from water surfaces(2,SRC). Isopropyl carbamate's Henry's Law constant(1,SRC) indicates that volatilization from moist soil surfaces is not expected to occur(SRC).

Non-Human Toxicity Excerpts · 1 件

ISOPROPYL CARBAMATE IS AMONG A GROUP OF CARBAMATES TESTED FOR MUTAGENIC PROPERTIES BY USING BACILLUS SUBTILIS. /SRP: WHERE HIGH CONCN OF CARBAMATES MARKEDLY LOWERED VIABILITY, THE MUTATION RATE APPEARED ELEVATED. HOWEVER, ANALYSIS OF MUTATION DATA SHOWED THAT NONE OF THE CARBAMATES TESTED WERE MUTAGENIC AT THE INDOLE LOCUS/.

Environmental Abiotic Degradation · 1 件

The rate constant for the vapor-phase reaction of isopropyl carbamate with photochemically-produced hydroxyl radicals has been derived as 1.2X10-11 cu cm/molecule-sec at 25 °C(SRC) using a structure estimation method(1,SRC). This corresponds to an atmospheric half-life of about 1.3 days at an atmospheric concentration of 5X10+5 hydroxyl radicals per cu cm(1,SRC). Purely aliphatic carbamates are expected to be resistant to hydrolysis under environmental conditions(2). A base-catalyzed second-order rate constant of 6.6X10-5 L/mol-sec(SRC) was estimated using a structure estimation method(2); this corresponds to half-lives of 3300 and 330 years at pH values of 7 and 8, respectively(2,SRC).

安全データ

tsca
TSCA listed
rtecs
FB2975000
hs_code
2924190090
risk_code
45
化審法
(2)-1712
safety_code
53

化学と産業

用途と製造

U.S. Production(1972) NEGLIGIBLE
Methods of ManufacturingPOSSIBLY BY REACTION OF ISOPROPYL CHLOROFORMATE AND AMMONIA
General Manufacturing InformationCarbamic acid, 1-methylethyl ester: ACTIVE

サプライヤー50 社

上海康恩博医药科技有限公司17510465506 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]

関連反応

9 件

関連ノート

読み込み中…

Isopropyl carbamate (HCID 15628)|化工社