2,2-dimethyl-1,3-propanediyl dioctanoate (CAS 31335-74-7) — formula C21H40O4, molecular weight 356.5; category organic chemicals.
Documented applications: U.S. Production: 2023: <50, 000 lb, 2022: <50, 2021: 50, 000 - <250, 2020: <50, General Manufacturing Information: Octanoic acid, 1, 1'-(2, 2-dimethyl-1, 3-propanediyl) ester: ACTIVE.
2,2-dimethyl-1,3-propanediyl dioctanoate is a carbon-based organic compound with CAS registry number 31335-74-7 and molecular formula C21H40O4 (molecular weight 356.5), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 31335-74-7
Its molecular formula C21H40O4 comprises 21 C, 40 H, 4 O atoms.
Also known as: 2,2-dimethyl-1,3-propanediyl dioctanoate · Neopentyl Glycol Dicaprylate
Category: organic chemicals
The CAS registry number of 2,2-dimethyl-1,3-propanediyl dioctanoate is 31335-74-7.
Molecular formula C21H40O4, molecular weight 356.5.
It is also registered under: 2,2-dimethyl-1,3-propanediyl dioctanoate, Neopentyl Glycol Dicaprylate.
Recorded applications: U.S. Production: 2023: <50, 000 lb, 2022: <50, 2021: 50, 000 - <250, 2020: <50, General Manufacturing Information: Octanoic acid, 1, 1'-(2, 2-dimethyl-1, 3-propanediyl) ester: ACTIVE.
Category: Organic Chemicals.
Public-database records for 2,2-dimethyl-1,3-propanediyl dioctanoate (CAS 31335-74-7), reproduced here for independent cross-checking.
| GHS notification summary | 100% (46 / 46) |
|---|
This chemical does not meet GHS hazard criteria for 100% (46 of 46) of all reports.
Reported as not meeting GHS hazard criteria by 46 of 46 companies. For more detailed information, please visit ECHA C&L website.
| GHS notification summary | 100% (46 / 46) |
|---|
| CAS Registry Number | 31335-74-7 |
|---|---|
| PubChem CID | 160200 |
| 分子式 | C21H40O4 |
| IUPAC 名称 | (2,2-dimethyl-3-octanoyloxypropyl) octanoate |
| UNII（FDA） | J888K71638 |
Neopentyl glycol dicaprylate; 31335-74-7; EINECS 250-575-9; UNII-J888K71638; neopentylglycol dioctanoate; Octanoic acid, 2,2-dimethyl-1,3-propanediyl ester; Octanoic acid, 1,1'-(2,2-dimethyl-1,3-propanediyl) ester; J888K71638; DTXSID80865593; EC 250-575-9; OCTANOIC ACID, 2,2-DIMETHYLTRIMETHYLENE ESTER; RefChem:165332; DTXCID30813988; 250-575-9; 2,2-Dimethyl-1,3-propanediyl dioctanoate; SCHEMBL480307
| 分子量 | 356.5 |
|---|---|
| XLogP3 | 7.2 |
| 氢键供体数 | 0 |
| 氢键受体数 | 4 |
| 可旋转键数 | 18 |
| 精确质量 | 356.29265975 |
| 单同位素质量 | 356.29265975 |
| 拓扑极性表面积 | 52.6 |
| 重原子数 | 25 |
| 形式电荷 | 0 |
2,2-dimethyl-1,3-propanediyl dioctanoate · CAS 31335-74-7 · C21H40O4. UNII J888K71638.
Source: PubChem / Wikidata; the batch COA governs where values differ.
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