3-butylidene phthalide

3-butylidenephthalide

CAS: 551-08-6 C12 H12 O2 MW: 188.22604000 herbal celery

Identification

Name3-butylidene phthalide
CAS Number551-08-6
EINECS208-991-3
FDA UNIIS9178G4B3F
Molecular FormulaC12 H12 O2
Molecular Weight188.22604000
MDL NumberMFCD00047319
CoE Number10083

Regulatory

JECFA Food Flavoring1170 3-butylidenephthalide
DG SANTE Food Flavourings10.024 3-butylidenephthalide
FEMA Number3333
FDANo longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF)551-08-6 ; 3-BUTYLIDENEPHTHALIDE

Physical Properties

Appearance yellow clear oily liquid (est)
Assay 99.00 to 100.00 sum of isomers
Food Chemicals Codex Listed No
Specific Gravity 1.10300 @ 25.00 °C., 1.09800 to 1.10300 @ 25.00 °C.
Pounds per Gallon - est. 9.136 to 9.178
Boiling Point 319.00 to 321.00 °C. @ 760.00 mm Hg, 139.00 to 142.00 °C. @ 5.00 mm Hg
Vapor Pressure 0.001000 mmHg @ 25.00 °C. (est)
Flash Point > 212.00 °F. TCC ( > 100.00 °C. )
logP (o/w) 3.388 (est)
Soluble in alcohol
Insoluble in water

Cosmetic Information

CosIngcosmetic data
Cosmetic Usesperfuming agents

Organoleptic Properties

Odor Strength medium ,
Substantivity 376 hour(s) at 100.00 %
Odor Description
at 10.00 % in dipropylene glycol.
Celery, green, vegetable, lovage-like with a herbal note
Odor sample from FRUTAROM USA INC,
Taste Description at 15.00 ppm.

Safety Information

Preferred SDSView
European informationMost important hazard(s):
Human Experience2 % solution: no irritation or sensitization.
Oral/Parenteral Toxicityoral-rat LD50 1850 mg/kg
Dermal Toxicityskin-rabbit LD50 > 5000 mg/kg
Inhalation ToxicityNot determined

GHS Classification

['GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)', 'GHS Label elements, including precautionary statements']

Safety in Use

Categoryflavor and fragrance agents
RIFM Fragrance Material Safety AssessmentSearch
Recommendation for 3-butylidene phthalide usage levels up to2.0000 % in the fragrance concentrate.
Maximised Survey-derived Daily Intakes (MSDI-EU)8.60 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA)7.00 (μg/capita/day)
Structure ClassIII
baked goods-
beverages(nonalcoholic)-
beverages(alcoholic)-
breakfast cereal-
cheese-
chewing gum-
condiments / relishes-
confectionery froastings-
egg products-
fats / oils-
fish products-
frozen dairy-
fruit ices-
gelatins / puddings-
granulated sugar-
gravies-
hard candy-
imitation dairy-
instant coffee / tea-
jams / jellies-
meat products-
milk products-
nut products-
other grains-
poultry-
processed fruits-
processed vegetables-
reconstituted vegetables-
seasonings / flavors-
snack foods-
soft candy-
soups-
sugar substitutes-
sweet sauces-

Berje Inc.

Where the world comes to its senses

Where the world comes to its senses - Berjé is a global distributor of Essential Oils and Aromatic Chemicals.

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FRUTAROM USA INC,

Flavor & Specialty Ingredients

Your preferred partner for flavour and fragrance success.

View All Website +44 (0) 1429 863 222 Sales.IFFIngredients@iff.com

Lluch Essence S.L.

A family company dedicated to sales and distribution

Flexibility, availability, price and quality.

View All Website 34 93 379 38 49 web@lluche.com

O'Laughlin Industries Inc.

Manufacturer of chemicals and ingredients used in flavors, fragrances, food, beverages and cosmetics

Leading the Flavor and Fragrance Industry since 1980.

View All Website (973) 376-4600 olcorphk@hkstar.com

Penta International Corporation

Chemistry innovation

At Penta, our products and services help businesses do business better.

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Sigma-Aldrich

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View All Website 800-244-1173 ff@sial.com

Synerzine, Inc.

Innovation. Customization. Aroma Ingredients.

Synerzine is a leading supplier of flavor and fragrance ingredients.

View All Website (404) 524-6744 info@synerzine.com

Tianjin Danjun International Trade Co., LTD.

Quality Products

We know the Chinese chemical market well.

View All Website +86-15822601686 songshasha@danjunchem.com

R C Treatt and Co Ltd

Innovative ingredient solutions

World-leading innovative ingredient solutions provider for the flavour, fragrance and FMCG industries.

View All Website +1 863 668 9500 enquiries@treatt.com

Potential Uses

FR celery FL/FR lovage root FL molasses FR spice FL tomato FL vegetable

Natural Occurrence

celery leaf celery leaf oil celery leaf oil @ 0.90% Data celery root celery seed oil celery stem oil lovage leaf lovage root

Synonyms

1(3H)-iso benzofuranone, 3-butylidene- 3- butylidene-1(3H)-isobenzofuranone 3- butylidene-2-benzofuran-1-one 3- butylidene-2-benzofuran-1(3H)-one 3-N- butylidene-phthalide 3- butylidenephthalide N- butylidenephthalide ligusticum lactone PubMed: Antinociceptive activity of Ligusticum porteri preparations and compounds. PubMed: [Study on the constituents of essential oil of Shunaoxin dropping pills by GC-MS]. PubMed: Targeted and untargeted phytochemistry of Ligusticum canbyi: indoleamines, phthalides, antioxidant potential, and use of metabolomics as a hypothesis-generating technique for compound discovery. PubMed: Effects of natural phytochemicals in Angelica sinensis (Danggui) on Nrf2-mediated gene expression of phase II drug metabolizing enzymes and anti-inflammation. PubMed: Online isolation and purification of four phthalide compounds from Chuanxiong rhizoma using high-speed counter-current chromatography coupled with semi-preparative liquid chromatography. PubMed: Antimycobacterials from lovage root (Ligusticum officinale Koch). PubMed: (Z)-3-butylidenephthalide from Ligusticum porteri , an α-glucosidase inhibitor. PubMed: Bioactivity-guided fractionation and GC/MS fingerprinting of Angelica sinensis and Angelica archangelica root components for antifungal and mosquito deterrent activity. PubMed: Identification and comparison of metabolites after oral administration of essential oil of Ligusticum chuanxiong or its major constituent ligustilide in rats. PubMed: [Study on fingerprint of rhizoma chuanxiong by HPLC-DAD-MS]. PubMed: Simultaneous analysis of seventeen chemical ingredients of Ligusticum chuanxiong by on-line high performance liquid chromatography-diode array detector-mass spectrometry. PubMed: Separation and identification of the phthalic anhydride derivatives of Liqusticum Chuanxiong Hort by GC-MS, TLC, HPLC-DAD, and HPLC-MS. PubMed: Anti-competence effects of synthetic phthalide derivatives on platelet-derived growth factor-induced DNA synthesis in primary cultures of rat aorta smooth muscle cells. PubMed: The structure-activity relationship between synthetic butylidenephthalide derivatives regarding the competence and progression of inhibition in primary cultures proliferation of mouse aorta smooth muscle cells.