3-Butylidene phthalide · Constituent

Chemical info / 化学情報

CAS number CAS

551-08-6

Molecular formula

C₁₂H₁₂O₂

Molecular weight

188.22 g/mol

Aroma

Fresh, concentrated celery, with a faint green and savory edge.

Safety / 安全性

Low concern · Safe at standard use

3-Butylidene phthalide exists as (E) and (Z) isomers, with (Z) more abundant in Himalayan Angelica root oil.

Skin. A 2 percent patch test on 25 volunteers showed no irritation or sensitization. Undiluted application to rabbits caused mild irritation.

Oral. Acute oral LD50 in rats is 1.85–2.42 g/kg; rabbit dermal LD50 exceeds 5 g/kg.

Cancer. The compound shows dose-dependent cytotoxicity against the human HT-29 colorectal cancer cell line.

Usage guidelines / 使用基準

Concern level

Low

Main isomer in oils

(Z)- in Himalayan Angelica root

Found in essential oils / 含有精油

Principal sources
Angelica root (Himalayan)	11.3 – 20.5 %
Celery seed	2.3 – 8.0 %
Lovage root	1.5 %

Notes / 注記

(Z)-3-Butylidene phthalide is a characteristic marker for Angelica glauca. The compound contributes to the strong, pungent character of Himalayan Angelica root.