基本情報
- CAS
53396-59-1- 標準SMILES
COP(=O)(O)OC- InChIKey
KKUKTXOBAWVSHC-UHFFFAOYSA-N- 分子式
- C2H7O4P
- 平均分子量
- 126.05 g/mol
- 単同位体質量
- 126.00819533
概要
Syrupy pale yellow liquid. (NTP, 1992)
名称と識別子
- 優先名称
- Dimethyl phosphate
- IUPAC
- dimethyl hydrogen phosphate
- 現地名
- りん酸ジメチル
- 英語名
- Dimethyl phosphate
- 分子式
- C2H7O4P
- 分子量
- 126.05
名称と別名
Dimethyl hydrogen phosphate813-78-5DIMETHYL PHOSPHATEDimethylphosphateO,O-Dimethyl phosphatePhosphoric acid, dimethyl esterDTXSID5025150O,O-Dimethyl hydrogen phosphateHI4K2C9UEIDTXCID205150NSC-2676RefChem:134265
名称をさらに表示
りん酸ジメチルりん酸O,O-ジメチルジメチルホスファートりん酸水素ジメチルりん酸ジメチル STANDARDりん酸ジメチル Standard, 100 µg/mL in MeOHAURORA KA-1624Dimethyl acid phosphateDimethylphosphate, 98 %Dimethyl methylphosphatePhosphoric acid dimethylDI(METHYL)PHOSPHORIC ACID
212-389-6dimethoxyphosphinic acidMFCD00014887NSC 2676Methyl phosphate ((MeO)2(HO)PO)Phosphoric acid dimethyl esterDimethylhydrogenphosphatedimethyl phosphate, AldrichCPR
データベース識別子
- CAS
53396-59-1、813-78-5- PubChem CID
- 13134
- DTXSID
DTXSID5025150- ChEBI
CHEBI:166474- UNII
- HI4K2C9UEI
- EC Number
- 212-389-6
- Nikkaji
- J3.331F
物性
構造計算による物性
- XLogP
- -1.2
- 極性表面積
- 55.8 Ų
- 水素結合供与体数
- 1
- 水素結合受容体数
- 4
- 回転可能結合数
- 2
- 重原子数
- 7
- 形式電荷
- 0
- 複雑度
- 81.7
実験および物理化学的性質
Chemical ClassesOrganophosphate diesters (OPDE)
SpringerMaterials PropertiesOptical coefficient
PesticidesEnvironmental transformation -> Pesticide transformation products (metabolite, successor)
Density1.335 at 77 °F (NTP, 1992) - Denser than water; will sink
Solubilitygreater than or equal to 100 mg/mL at 70 °F (NTP, 1992)
Flash Pointgreater than 200 °F (NTP, 1992)
Boiling Point342 to 349 °F at 760 mmHg (decomposes) (NTP, 1992)
Physical Description
Syrupy pale yellow liquid. (NTP, 1992)
Liquid
Collision Cross Section120.6 Ų [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: TOXCAST; Source Identifier: DTXSID5025150]
物理化学的性質
- 沸点
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
GHS分類
GHS Classification
This chemical does not meet GHS hazard criteria for 0.7% (1 of 146) of reports.
Danger
H302+H312 (97.9%): Harmful if swallowed or in contact with skin [Warning Acute toxicity, oral; acute toxicity, dermal]
P260, P261, P264, P264+P265, P270, P272, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P333+P317, P362+P364, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 146 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
危険有害性情報
Regulatory Information
Chemical: Phosphoric acid, dimethyl ester
Hazard Traits - Hazard Trait Undefined
Phosphoric acid, dimethyl ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Phosphoric acid, dimethyl ester 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)
Phosphoric acid, dimethyl ester: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
DOT LabelCorrosive
Fire HazardsThis chemical is probably combustible. (NTP, 1992)
Health HazardsExcerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:
Reactive GroupEsters, Sulfate Esters, Phosphate Esters, Thiophosphate Esters, and Borate Esters
Reactivity Profile
Organophosphates, such as DIMETHYL PHOSPHATE, are susceptible to formation of highly toxic and flammable phosphine gas in the presence of strong reducing agents such as hydrides. Partial oxidation by oxidizing agents may result in the release of toxic phosphorus oxides.
化学と産業
用途と製造
U.S. Production2023: 90,589 lb
Consumer UsesSurfactant (surface active agent)
Industry UsesNot Known or Reasonably Ascertainable
Use ClassificationEnvironmental transformation -> Pesticide transformation products (metabolite, successor)
General Manufacturing Information
Petroleum Lubricating Oil and Grease Manufacturing
Phosphoric acid, dimethyl ester: ACTIVE
応用分野
一般的な説明Syrupy pale yellow liquid.
上流・下流製品情報
上流原料
関連反応
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化合物ノート
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