基本情報
- CAS
109-31-9- 標準SMILES
CCCCCCOC(=O)CCCCCCCC(=O)OCCCCCC- InChIKey
MJOKHGMXPJXFTG-UHFFFAOYSA-N- 分子式
- C21H40O4
- 平均分子量
- 356.5 g/mol
- 単同位体質量
- 356.29265975
名称と識別子
- 優先名称
- Dihexyl azelate
- IUPAC
- dihexyl nonanedioate
- 現地名
- アゼライン酸ジヘキシル
- 英語名
- DI-N-HEXYL AZELATE
- 分子式
- C21H40O4
- 分子量
- 356.54
名称と別名
dihexyl nonanedioateDi-n-hexyl azelateDIHEXYL AZELATE109-31-9Nonanedioic acid, dihexyl esterAzelaic acid, dihexyl esterPlastolein 9051Plastolein 9050Plastolein 9051 DHNZNonanedioic acid, 1,9-dihexyl esterDTXSID9047623HSDB 5389
名称をさらに表示
ジ-n-ヘキシルアゼラートプラストレイン9051DHNZアゼライン酸ジヘキシル1,9-ジヘキシル ノナンジオアートDnHaPriplast 3013plastolein9051plastolein9050Dihexyl azelaate
Di-n-hexylester kyseliny azelaoveEINECS 203-664-1F3BBD41PQ1Di-n-hexylester kyseliny azelaove [Czech]DIHEXYL AZELATE [HSDB]DTXCID7027623Dinhexyl azelateRefChem:587638
データベース識別子
- CAS
109-31-9- PubChem CID
- 7985
- DTXSID
DTXSID9047623- ChEMBL
CHEMBL3184936- UNII
- F3BBD41PQ1
- EC Number
- 203-664-1
- Nikkaji
- J22.145G
物性
構造計算による物性
- XLogP
- 6.9
- 極性表面積
- 52.6 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 4
- 回転可能結合数
- 20
- 重原子数
- 25
- 形式電荷
- 0
- 複雑度
- 285
実験および物理化学的性質
PlasticizersPlastics & Rubber -> Other Plasticizers
Density0.927 @ 20 °C
Color/FormLIQUID
Flash Point204 °C
Boiling Point216 °C @ 5 MM HG
Melting PointFP: -10 °C
Food Contact SubstancesFCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR
Physical Description
Liquid
Liquid; [HSDB] Clear liquid with a mild ester odor; [MSDSonline]
Collision Cross Section210.8 Ų [M+Na]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID9047623]
Autoignition Temperature238 °C.
物理化学的性質
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 100% (16 of 16) of all reports.
Not Classified
Aggregated GHS information provided per 16 reports by companies from 1 notifications to the ECHA C&L Inventory.
危険有害性情報
Regulatory Information
Chemical: Nonanedioic acid, dihexyl ester
Nonanedioic acid, 1,9-dihexyl ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Nonanedioic acid, 1,9-dihexyl 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)
Hazards SummaryNo significant adverse effects observed in long term studies with rats and dogs; [HSDB]
Hazard Classes and CategoriesNot Classified
安全と保護具
Disposal Methods
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
Non-Human Toxicity Excerpts
...LONG-TERM TWO-YR EXPTL STUDY OF THREE GROUPS OF RATS...KEPT ON DIETS CONTAINING 0.1, 0.5, & 15%.../NOTED NOTHING ABNORMAL IN/ BIOLOGICAL & HISTOLOGICAL EXAM... ON 15% DIET, HOWEVER, ANIMALS SHOWED A CERTAIN RETARDATION IN GROWTH & INCREASED KIDNEY WEIGHT.
化学と産業
薬理情報
Metabolism/Metabolites...THE LOW TOXICITY...IS DUE TO ITS PASSAGE UNCHANGED THROUGH THE BODY, OR RATHER, TO EXCRETION OR METABOLISM OF THE TWO SUBSTANCES ARISING FROM ITS HYDROLYSIS IN THE BODY, AZELAIC ACID & HEXYL ALCOHOL.
Absorption, Distribution and Excretion
...THE LOW TOXICITY...IS DUE TO ITS PASSAGE UNCHANGED THROUGH THE BODY, OR RATHER, TO EXCRETION OR METABOLISM OF THE TWO SUBSTANCES ARISING FROM ITS HYDROLYSIS IN THE BODY, AZELAIC ACID & HEXYL ALCOHOL.
IT IS KNOWN THAT AZELAIC ACID CAN BE RAPIDLY EXCRETED IN THE URINE IN DOGS, RABBITS, & HUMANS. /AZELAIC ACID/
用途と製造
Uses
Used as plasticizer for polyvinyl chloride, vinyl copolymers, cellulose resins, polypropylene food wrap, and various other resins; [HSDB]
PLASTICIZER FOR VARIOUS RESINS, PARTICULARLY POLYVINYL CHLORIDE & VINYL COPOLYMERS
PLASTICIZER, EG, FOR CELLULOSE & VINYL RESINS
PLASTICIZER FOR POLYPROPYLENE FOOD WRAP
U.S. Production
2023: 75,000 - <500,000 lb
(1977) AT LEAST 4.54X10+7 GRAMS
(1982) PROBABLY GREATER THAN 2.27X10+6 GRAMS
Consumer UsesNot Known or Reasonably Ascertainable
Industry UsesPlasticizer
Methods of ManufacturingTRANSESTERIFICATION OR ESTERIFICATION OF N-HEXYL ALCOHOL WITH EITHER DIMETHYL AZELATE OR AZELAIC ACID
Formulations/Preparations"PLASTOLEIN" /IS A/ TRADEMARK FOR VINYL PLASTICIZERS, INCLUDING DI-N-HEXYL AZELATE... /PLASTOLEIN/
General Manufacturing Information
関連反応
0 件
現在のフィルター条件では反応記録がありません。
化合物ノート
読み込み中…