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4-Hydroxybenzoic Acid Butyl Ester

CAS 94-26-8C11H14O3MW 194.23

4-Hydroxybenzoic Acid Butyl Ester(CAS 94-26-8):分子式 C11H14O3、分子量 194.23;类别 有机化学品。

规格参数

CAS号94-26-8
分子式C11H14O3
分子量194.23
熔点154 to 156 °F (NTP, 1992)
沸点156.00 to 157.00 °C. @ 3.50 mm Hg
LogPlog Kow = 3.57
类别Organic Chemicals

采购档案

这个产品是什么

4-Hydroxybenzoic Acid Butyl Ester 是一种以碳骨架为基础的有机化合物,登记 CAS 号为 94-26-8,分子式 C11H14O3(分子量 194.23),归属于有机化学品大类化工原料。

识别信息

登记 CAS 号:94-26-8

其分子式 C11H14O3 由 11 个碳、14 个氢、3 个氧 组成。

别名/同义词:4-Hydroxybenzoic Acid Butyl Ester · Butylparaben · n-Butyl 4-hydroxybenzoate

所属分类:有机化学品

常见问题

4-Hydroxybenzoic Acid Butyl Ester 的 CAS 号是多少?

4-Hydroxybenzoic Acid Butyl Ester 的 CAS 登记号为 94-26-8。

4-Hydroxybenzoic Acid Butyl Ester 的分子式与分子量是多少?

分子式 C11H14O3,分子量 194.23。

4-Hydroxybenzoic Acid Butyl Ester 还有哪些别名?

别名/同义词:4-Hydroxybenzoic Acid Butyl Ester、Butylparaben、n-Butyl 4-hydroxybenzoate。

4-Hydroxybenzoic Acid Butyl Ester 属于哪个分类?

所属分类:Organic Chemicals。

PubChem 公开数据

4-Hydroxybenzoic Acid Butyl Ester(CAS 94-26-8)的公开数据库记录,列此仅供独立核对。

危险化学品分类与危害说明

GHS notification summary35.6% (479 / 1344)
Reported hazard statementsH315 (60.4%), H318 (21.6%), H319 (41.6%), H335 (39.7%), H412 (18.2%)

This chemical does not meet GHS hazard criteria for 35.6% (479 of 1344) of reports.

H315 (60.4%): Causes skin irritation [Warning Skin corrosion/irritation]

法规与备案状态

Regulatory & Food ContactFDA Substance added to food: FLAVORING AGENT OR ADJUVANT
FLAVOURING_AGENTFood Additives -> PRESERVATIVE: Flavouring Agent
Flavoring Agents
No safety concern at current levels of intake when used as a flavouring agent
TRS 913-JECFA 59/112
FAS 48-JECFA 57/273 (2001)
GHS notification summary35.6% (479 / 1344)

物理形态与操作说明

  • N-butyl-p-hydroxybenzoate appears as odorless white crystals or crystalline powder. Tasteless, but numbs the tongue. Aqueous solutions slightly acidic to litmus. (NTP, 1992)
  • Colorless solid; Insoluble in water (207 mg/L at 20 deg C); Very hygroscopic; [HSDB] White odorless solid; Insoluble in water; [CAMEO] Powder; Slightly soluble in water; [MSDSonline]
  • Solid
  • white crystals with little or no odour
  • Small, colorless crystals or powder
  • Crystalline powder

公开数据库收录的理化数据

沸点156.00 to 157.00 °C. @ 3.50 mm Hg
沸点156-157 °C (3.5 mm Hg)
熔点154 to 156 °F (NTP, 1992)
熔点68.5 °C
熔点68 - 69 °C
闪点181 °C
溶解度In water, 2.07X10+2 mg/L at 20 °C
溶解度0.207 mg/mL at 20 °C
蒸气压0.000186 [mmHg]
LogPlog Kow = 3.57

这个物质在各数据库里的编号

CAS Registry Number94-26-8
PubChem CID7184
分子式C11H14O3
IUPAC 名称butyl 4-hydroxybenzoate
UNII(FDA)3QPI1U3FV8
FEMA 编号2203
JECFA 编号870

数据库记载的用途

  • Used as an antifungal agent, preservative in antiseptic creams, food preservative, and pharyngeal antiseptic; [HSDB] The parabens (methyl, ethyl, propyl, and butyl) were the most widely used preservatives in cosmetics (0.1% to 0.8%) until their sensitizing potential was recognized; [Marks, p. 115]
  • Table: Reported uses (ppm): (Flavor and Extract Manufacturers' Association, 1994) [Table#984]
  • Pharmaceutic aid (antifungal). Preservative in foods.
  • For more Uses (Complete) data for BUTYLPARABEN (6 total), please visit the HSDB record page.
  • Flavouring Agent -> FLAVOURING_AGENTFood Additives -> PRESERVATIVE -> JECFA Functional Classes
  • Flavoring Agents -> JECFA Flavorings Index

它在各数据库里的别名

BUTYLPARABEN; Butyl 4-hydroxybenzoate; 94-26-8; Butyl paraben; Butyl p-hydroxybenzoate; Butoben; Nipabutyl; Butyl chemosept; Butyl parasept; Tegosept B; Butyl tegosept; Butyl butex; Aseptoform butyl; Solbrol B; Butyl parahydroxybenzoate; n-Butyl p-hydroxybenzoate

计算机算出的分子描述符

分子量194.23
XLogP33.6
氢键供体数1
氢键受体数3
可旋转键数5
精确质量194.094294304
单同位素质量194.094294304
拓扑极性表面积46.5
重原子数14
形式电荷0

数据库摘要

4-Hydroxybenzoic Acid Butyl Ester · CAS 94-26-8 · C11H14O3. UNII 3QPI1U3FV8. 沸点: 156.00 to 157.00 °C. @ 3.50 mm Hg; 沸点: 156-157 °C (3.5 mm Hg); 熔点: 154 to 156 °F (NTP, 1992).

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

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