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异丁子香酚

CAS 97-54-1C10H12O2MW 164.20核心供应

异丁子香酚（CAS 97-54-1）：分子式 C10H12O2、分子量 164.20；类别 食用香精。

产品描述

异丁子香酚（CAS 97-54-1）是一种食用香精原料。其分子式 C10H12O2 由 10 个碳、12 个氢、2 个氧 组成。 分子量约为 164.20。公开物性数据显示其熔点约 14 °F (NTP, 1992)、沸点约 511 °F at 760 mmHg (NTP, 1992)、LogP 约 2.6。作为化工品采购代理与分销渠道，我们可在国内及跨境渠道为异丁子香酚寻源比价，并安排小批量试样与批次采购；下单前提供完整 COA、质检报告与合规文件，验收以批次 COA 为准。

规格参数

CAS号97-54-1
分子式C10H12O2
分子量164.20
熔点14 °F (NTP, 1992)
沸点511 °F at 760 mmHg (NTP, 1992)
LogP2.6
应用领域Occurs in ylang-ylang oil and other essential oils、Used in perfumes、vanillin、and flavoring agents、Approved by the FDA as a food flavor、cosmetics
类别食用香精|精细化学品

用途与场景

登记用途：Occurs in ylang-ylang oil and other essential oils、Used in perfumes、vanillin、and flavoring agents、Approved by the FDA as a food flavor、cosmetics。

采购档案

这个产品是什么

异丁子香酚 是一种食用香精化合物，登记 CAS 号为 97-54-1，分子式 C10H12O2（分子量 164.20），归属于食用香精大类化工原料。

识别信息

登记 CAS 号：97-54-1

其分子式 C10H12O2 由 10 个碳、12 个氢、2 个氧 组成。

别名/同义词：异丁子香酚 · Isoeugenol

所属分类：食用香精 / 精细化学品

常见问题

异丁子香酚 的 CAS 号是多少？

异丁子香酚 的 CAS 登记号为 97-54-1。

异丁子香酚 的分子式与分子量是多少？

分子式 C10H12O2，分子量 164.20。

异丁子香酚 还有哪些别名？

别名/同义词：异丁子香酚、Isoeugenol。

异丁子香酚 的登记用途是什么？

登记用途：Occurs in ylang-ylang oil and other essential oils、Used in perfumes、vanillin、and flavoring agents、Approved by the FDA as a food flavor、cosmetics。

异丁子香酚 属于哪个分类？

所属分类：食用香精 / 精细化学品。

如何在 591daili.cn 采购 异丁子香酚？

请在联系页面提交产品名称、CAS 号与数量，我们作为采购代理在国内及跨境渠道为您寻源比价，安排试样与批次采购，下单前提供 COA 与合规文件。

包装与单证

包装按订单确认，从实验室小包装到吨袋大货，随订单安排而非在页面上写死。每批随货附 COA 分析证书，可另提供 MSDS；若终端用途带有法规限度（食品接触、药品或化妆品），请在询价时说明执行标准，等级按该标准确定。

PubChem 公开数据

异丁子香酚（CAS 97-54-1）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 summary0.1% (1 / 1995)
Reported hazard statementsH317, H302 (99.5%), H312 (96.4%), H315 (99.5%), H319 (98.9%), H335 (10.9%), H332 (37.7%), H371

H317: May cause an allergic skin reaction [Warning Sensitization, Skin]

P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, and P501 (click each P-code to see the statement)

法规与备案状态

Regulatory & Food ContactEU Flavoring substances
FDA Substance added to food: FLAVORING AGENT OR ADJUVANT
Flavoring Agents
FLAVOURING_AGENT: Flavouring Agent
Flower, Fragrant
No safety concern at current levels of intake when used as a flavouring agent
GHS notification summary0.1% (1 / 1995)

物理形态与操作说明

  • Isoeugenol is a pale yellow oily liquid with a spice-clove odor. Freezes at 14 °F. 密度 1.08 g / cm3. Occurs in ylang-ylang oil and other essential oils.
  • Liquid
  • 97-54-1: Pale yellow oily liquid with a spice-clove odor; [CAMEO] Clear light yellow-green viscous liquid; [MSDSonline] 5912-86-7: Liquid; [Merck Index] 5932-68-3: Solid; [Merck Index]
  • Pale yellow, viscous liquid; floral, carnation-like aroma
  • Oily liquid; easily becomes somewhat yellow
  • Spice-clove odor

公开数据库收录的理化数据

沸点511 °F at 760 mmHg (NTP, 1992)
沸点266 °C
沸点125.00 to 126.00 °C. @ 14.00 mm Hg
熔点14 °F (NTP, 1992)
熔点-10 °C
闪点235 °F (NTP, 1992)
闪点235 °F
闪点>212 °F(>100 °C)(closed cup)
溶解度In water, 810 mg/L at 25 °C
密度1.080 g/cu cm at 25 °C

这个物质在各数据库里的编号

CAS Registry Number97-54-1
PubChem CID853433
分子式C10H12O2
IUPAC 名称2-methoxy-4-[(E)-prop-1-enyl]phenol
UNII（FDA）28FSR1NAY4
FEMA 编号2468
JECFA 编号1260

数据库记载的用途

  • Occurs in ylang-ylang oil and other essential oils; [CAMEO] Used in perfumes, vanillin, and flavoring agents; [Hawley] Approved by the FDA as a food flavor; Used in cosmetics, medications, and dental materials; Occurs naturally in the oils of clove, ylang-ylang, tuberose, and jonquil; [Marks, p. 175]
  • Used as a fragrance in household laundry and cleaning products including, most notably, laundry powders (maximum concentration: 60 ppm), laundry liquids (maximum concentration: 70 ppm), dish-washing liquids (maximum concentration: less than 10 ppm), hard surface cleaning products (maximum concentration: 40 ppm) and toilet cleaning products (maximum concentration: less than 10 ppm)
  • Table: Reported uses (ppm): (FEMA, 1994) [Table#8035]
  • Isoeugenol is used in perfumery in a large number of blossom compositions, mostly for clove and carnation types, but also in oriental perfumes. ... Small amounts are employed in aromas and in reconstituted essential oils.
  • AQUI-S is a fish anesthetic/sedative that is approved for use in a number of countries throughout the world and has the potential for use in the United States. The active ingredient in AQUI-S is isoeugenol.
  • Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

它在各数据库里的别名

Isoeugenol; 97-54-1; 4-Propenylguaiacol; 2-Methoxy-4-propenylphenol; 2-methoxy-4-(prop-1-en-1-yl)phenol; 4-Hydroxy-3-methoxy-1-propenylbenzene; 2-METHOXY-4-(1-PROPENYL)PHENOL; 4-Hydroxy-3-methoxypropenylbenzene; Phenol, 2-methoxy-4-propenyl-; Phenol, 2-methoxy-4-(1-propenyl)-; 2-methoxy-4-[(E)-prop-1-enyl]phenol; 1-Hydroxy-2-methoxy-4-propen-1-ylbenzene; 3-Methoxy-4-hydroxypropenylbenzene; NCI-C60979; 3-Methoxy-4-hydroxy-1-propen-1-ylbenzene; FEMA No. 2468

计算机算出的分子描述符

分子量164.20
XLogP32.6
氢键供体数1
氢键受体数2
可旋转键数2
精确质量164.083729621
单同位素质量164.083729621
拓扑极性表面积29.5
重原子数12
形式电荷0

数据库摘要

Isoeugenol · CAS 97-54-1 · C10H12O2. UNII 28FSR1NAY4. 沸点: 511 °F at 760 mmHg (NTP, 1992); 沸点: 266 °C; 沸点: 125.00 to 126.00 °C. @ 14.00 mm Hg.

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

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