Dioctyl adipate (DOA)

CAS 123-79-5C22H42O4MW 370.6

Dioctyl adipate (DOA)（CAS 123-79-5）：分子式 C22H42O4、分子量 370.6。

产品概览

CAS号	123-79-5
分子式	C22H42O4
分子量	370.6
熔点	7.49 °C (280.65 K)
沸点	396.00 to 398.00 °C. @ 760.00 mm Hg
LogP	7.4

技术档案

这个产品是什么

Dioctyl adipate (DOA) 是一种化工化合物，登记 CAS 号为 123-79-5，分子式 C22H42O4（分子量 370.6）。

识别信息

登记 CAS 号：123-79-5

其分子式 C22H42O4 由 22 个碳、42 个氢、4 个氧组成。

别名/同义词：Dioctyl adipate (DOA) · Adipic acid di-n-octyl ester · DIOCTYL ADIPATE

常见问题

Dioctyl adipate (DOA) 的 CAS 号是多少？

Dioctyl adipate (DOA) 的 CAS 登记号为 123-79-5。

Dioctyl adipate (DOA) 的分子式与分子量是多少？

分子式 C22H42O4，分子量 370.6。

Dioctyl adipate (DOA) 还有哪些别名？

别名/同义词：Dioctyl adipate (DOA)、Adipic acid di-n-octyl ester、DIOCTYL ADIPATE。

PubChem 公开数据

Dioctyl adipate (DOA)（CAS 123-79-5）的独立参考数据，整理自公开化学数据库。

各数据库的登记标识

CAS Registry Number	123-79-5
PubChem CID	31271
Molecular formula	C22H42O4
Molecular weight	370.31 g/mol
IUPAC name	dioctyl hexanedioate
InChIKey	NEHDRDVHPTWWFG-UHFFFAOYSA-N
UNII (FDA)	2BD76YG9SI
ChEBI ID	CHEBI:168986
FEMA number	4476
JECFA number	1968

计算分子描述符

Molecular Weight	370.6
XLogP3	7.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	21
Exact Mass	370.30830982
Monoisotopic Mass	370.30830982
Topological Polar Surface Area	52.6
Heavy Atom Count	26

在册的理化数值

Boiling Point	396.00 to 398.00 °C. @ 760.00 mm Hg
Boiling Point	396-398 °C
Melting Point	7.49 °C (280.65 K)
Melting Point	9.5 - 9.8 °C
Solubility	In water, 0.78 mg/l @ 22 °C
Solubility	0.78 mg/L @ 22 °C (exp)
Density	1.2145X10+8 kmol/cu m @ 7.49 °C (280.65 K)
Density	0.924-0.930 (20 °C)
Vapor Pressure	0.00000085 [mmHg]
Vapor Pressure	8.50X10-7 mm Hg @ 20 °C

在册的记载用途

同义词与商品名

Dioctyl adipate; 123-79-5; Dioctyl hexanedioate; Di-n-octyl adipate; Hexanedioic acid, dioctyl ester; Dicaprylyl adipate; Adipic acid, dioctyl ester; 1,6-dioctyl hexanedioate; 2BD76YG9SI; NSC-16201; DTXSID2021606; FEMA NO. 4476; DEHA compound; RefChem:920377; di-2-ethyl-hexyl adipate; DTXCID701606

已收录的法规名录

Regulatory & Food Contact	EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT FDA Inventory of Food Contact Substances Listed in 21 CFR: FCS Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Dairy
GHS notification summary	75.8% (135 / 178)

GHS 危害分类

GHS notification summary	75.8% (135 / 178)
Reported hazard statements	H315 (24.2%), H319 (24.2%)

This chemical does not meet GHS hazard criteria for 75.8% (135 of 178) of all reports.

H315 (24.2%): Causes skin irritation [Warning Skin corrosion/irritation]

公开数据库对它的描述

DIOCTYL ADIPATE is identified by CAS 123-79-5, molecular formula C22H42O4 and molecular weight 370.31 g/mol. UNII 2BD76YG9SI; ChEBI 168986; InChIKey NEHDRDVHPTWWFG-UHFFFAOYSA-N. Boiling Point: 396.00 to 398.00 °C. @ 760.00 mm Hg; Boiling Point: 396-398 °C; Melting Point: 7.49 °C (280.65 K).

物理形态与操作说明

数据来源：PubChem / Wikidata；与随货 COA 不一致时以 COA 为准。