ヘキサン二酸ジヘキシル

ヘキサン二酸ジヘキシル · アジピン酸ジヘキシル · アジピン酸ジ－ｎ－ヘキシル · ジヘキサン-1-イル＝アジパート · 1,6-ジヘキシルヘキサンジオアート · DHA · dihexyl adipate · ihexylhexanedioate

https://huagongshe.com/ja/chemical/8046

識別子と物理属性

CAS No.	110-33-8
分子式	C18H34O4
平均分子量	314.5 g/mol
単同位体質量	314.24570956 g/mol
SMILES	CCCCCCOC(=O)CCCCC(=O)OCCCCCC
InChIKey	HHECSPXBQJHZAF-UHFFFAOYSA-N
PubChem CID	8046
ChEMBL	CHEMBL3185271
EC No.	203-757-7
DTXSID	DTXSID9026841
現地名	ヘキサン二酸ジヘキシル

化学・物理的性質

XLogP	5.3
極性表面積	52.6
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	17
重原子数	22
形式電荷	0
複雑度	248
密度	0.939 at 68 °F (USCG, 1999) - Less dense than waterwill float0.9320
引火点	325 °F (USCG, 1999)
Physical Description	Di-n-hexyl adipate is a colorless liquid. Floats on water. (USCG, 1999)
Kovats Retention Index	21402113
Collision Cross Section	202.5 Å² [M+Na]+ [CCS Type: DTBuffer gas: N2Ionization: ESI+Dataset: TOXCASTSource Identifier: DTXSID9026841]
融点	-13.8°C
沸点	374.13°C (rough estimate)
蒸気圧	0Pa at 25℃
屈折率	1.4397 (estimate)
溶解度	2.6mg/L at 20℃
化粧品成分の機能	スキンコンディショニング皮膚コンディショニング剤 - 保湿剤溶媒
InChI	1S/C18H34O4/c1-3-5-7-11-15-21-17(19)13-9-10-14-18(20)22-16-12-8-6-4-2/h3-16H2,1-2H3
InChIKey	HHECSPXBQJHZAF-UHFFFAOYSA-N
SMILES	CCCCCCOC(=O)CCCCC(=O)OCCCCCC
LogP（分配係数）	6.2 at 20℃
NISTの化学物質情報	Hexanedioic acid, dihexyl ester(110-33-8)
EPAの化学物質情報	Dihexyl adipate (110-33-8)

安全性と法規制

GHS 分類	This chemical does not meet GHS hazard criteria for 100% (17 of 17) of all reports.Not ClassifiedReported as not meeting GHS hazard criteria by 17 of 17 companies. For more detailed information, please visit ECHA C&L website.Aggregated GHS information provided per 17 reports by companies from 1 notifications to the ECHA C&L Inventory.Reported as not meeting GHS hazard criteria per 17 of 17 reports by companies.There are 0 notifications provided by 0 of 17 reports by companies with hazard statement code(s).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.
規制情報	Chemical: Hexanedioic acid, dihexyl esterHexanedioic acid, 1,6-dihexyl ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Hexanedioic acid, 1,6-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)Status: Active Update: 23-09-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/12571Hexanedioic acid, dihexyl 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.
その他の安全情報	Evaluation - Chemicals that are unlikely to require further regulation to manage risks to human health
火災危険	Special Hazards of Combustion Products: Irritating vapors and toxic gases, such as carbon dioxide and carbon monoxide, may be formed when involved in fire. (USCG, 1999)
健康有害性	Exposure can cause irritation of eyes, nose and throat. (USCG, 1999)
反応性グループ	Esters, Sulfate Esters, Phosphate Esters, Thiophosphate Esters, and Borate Esters
Reactivity Profile	DI-N-HEXYL ADIPATE is an ester. Esters react with acids to liberate heat along with alcohols and acids. Strong oxidizing acids may cause a vigorous reaction that is sufficiently exothermic to ignite the reaction products. Heat is also generated by the interaction of esters with caustic solutions. Flammable hydrogen is generated by mixing esters with alkali metals and hydrides.

用途

D610Aは直鎮高級アルコールの混合アジペートで可塑化効率?耐寒性?加工性等に優れた可塑剤です。また、塩化ゴムなどの各種ゴムやポリスチレン等とも相溶する可塑剤です。また、塩化ゴムなどの各種ゴムやポリスチレン等とも相溶しますので、それらの可塑剤としても使用されます。

一般的な説明

Colorless liquid. Floats on water.