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Butylidenephthalide

Butylidenephthalide structure

CAS No:
551-08-6
Formula:
C12H12O2
Chemical Name:
Butylidenephthalide
Synonyms:
1(3H)-Isobenzofuranone,3-butylidene-;Phthalide,3-butylidene-;3-Butylidene-1(3H)-isobenzofuranone;Butylidenephthalide;3-Butylidenephthalide;Ligusticum lactone;NSC 325307
Categories:
Cosmetic Ingredient > Perfuming

Description

3-Butylidenephthalide (Butylidenephthalide) is a phthalic anhydride derivative identified in Ligusticum chuanxiong Hort, and has larvicidal activity (LC50 of 1.56 mg/g for Spodoptera litura larvae)[1].

Yellow liquid; pervasive warm spicy aroma

Butylidenephthalide Basic Attributes

Molecular Weight：

188.22

Exact Mass：

188.22

BRN：

5145

EC Number：

208-991-3

DSSTox ID：

DTXSID9060281

Characteristics

PSA：

26.30000

XLogP3：

3.72

Appearance：

Yellow liquid; pervasive warm spicy aroma

Density：

1.0930 g/cm³ @ Temp: 20 °C

Melting Point：

82-83 °C

Boiling Point：

140 °C

Flash Point：

>230 °F

Refractive Index：

1.631

Water Solubility：

Insoluble in water; soluble in oils

Toxicity：

Oral-rat LD50: 1850 mg/kg

Flammability characteristics：

Thermal decomposition emits toxic and spicy irritating smoke

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

safety instructions：

RTECS Number：

TI3692500

Marks：

Storage features：

Warehouse ventilated, low temperature and dry

Hazard Statements：

H302

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P301+P312, P330, and P501|Aggregated GHS information provided by 1607 companies from 2 notifications to the ECHA C&L Inventory.

Drug Information

MeSH Entry Terms：

3-butylidene-1(3H)-isobenzofuranone

Butylidenephthalide Use and Manufacturing

Uses

3-Butylidenephthalide is a phthalide derivative useful for control of sensation disorder and olfaction disorder.

Manufacturing Info：

1(3H)-Isobenzofuranone, 3-butylidene-: ACTIVE

Use Classification：

Food additives -> Flavoring Agents|Flavoring Agents -> JECFA Flavorings Index

Food Additive Classes：

Flavoring Agents

Computed Properties

Molecular Weight:188.22
XLogP3:3.2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:188.083729621
Monoisotopic Mass:188.083729621
Topological Polar Surface Area:26.3
Heavy Atom Count:14
Complexity:255
Undefined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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CAS No.: 551-08-6

Content: 99.00%

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1 YR

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3-Butylidenephthalide

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CAS No.: 551-08-6

Grade: Industrial Grade

Content: 98%

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CN
2 YRS

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3-Butylidenephthalide

CAS No.: 551-08-6

Grade: Industrial Grade

Content: 99%

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Guide of Butylidenephthalide

Description
Basic Attributes
Characteristics
Safety Information
Drug Information
Use and Manufacturing
Computed Properties
Recommended Suppliers
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Butylidenephthalide

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