CAS 551-08-6|3-Butylidenephthalide

Introduction:Basic information about CAS 551-08-6|3-Butylidenephthalide, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
Common Name3-Butylidenephthalide
CAS Number551-08-6Molecular Weight188.223
Density1.2±0.1 g/cm3Boiling Point312.0±35.0 °C at 760 mmHg
Molecular FormulaC12H12O2Melting Point/
MSDSChineseUSAFlash Point127.9±23.4 °C
Symbol
GHS07
Signal WordWarning

Names

Name(Z)-3-butylidenephthalide
SynonymMore Synonyms

3-Butylidenephthalide BiologicalActivity

Description3-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].
Related CatalogResearch Areas >>OthersSignaling Pathways >>Others >>Others
References

[1]. Yi Y, et al. Z-Ligustilide Exerted Hormetic Effect on Growth and Detoxification Enzymes of Spodoptera lituraLarvae. Evid Based Complement Alternat Med. 2018 Jul 2;2018:7104513.

Chemical & Physical Properties

Density1.2±0.1 g/cm3
Boiling Point312.0±35.0 °C at 760 mmHg
Molecular FormulaC12H12O2
Molecular Weight188.223
Flash Point127.9±23.4 °C
Exact Mass188.083725
PSA26.30000
LogP3.72
Vapour Pressure0.0±0.7 mmHg at 25°C
Index of Refraction1.631

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
TI3692500
CHEMICAL NAME :
Phthalide, 3-butylidene-
CAS REGISTRY NUMBER :
551-08-6
LAST UPDATED :
199709
DATA ITEMS CITED :
4
MOLECULAR FORMULA :
C12-H12-O2
MOLECULAR WEIGHT :
188.24

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
Standard Draize test
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
REFERENCE :
FCTOD7 Food and Chemical Toxicology. (Pergamon Press Inc., Maxwell House, Fairview Park, Elmsford, NY 10523) V.20- 1982- Volume(issue)/page/year: 21,659,1983 ** ACUTE TOXICITY DATA **
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
1850 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
FCTOD7 Food and Chemical Toxicology. (Pergamon Press Inc., Maxwell House, Fairview Park, Elmsford, NY 10523) V.20- 1982- Volume(issue)/page/year: 21,659,1983
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
>5 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
FCTOD7 Food and Chemical Toxicology. (Pergamon Press Inc., Maxwell House, Fairview Park, Elmsford, NY 10523) V.20- 1982- Volume(issue)/page/year: 21,659,1983

Safety Information

Symbol
GHS07
Signal WordWarning
Hazard StatementsH302
Personal Protective EquipmentEyeshields;Faceshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter
Hazard CodesXn: Harmful;
Risk PhrasesR22
Safety PhrasesS23
RIDADRNONH for all modes of transport
WGK Germany2
RTECSTI3692500

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Synonyms

1(3H)-Isobenzofuranone, 3-butylidene-, (3Z)-
MFCD00047319
1(3H)-Isobenzofuranone, 3-butylidene-
3-butylidene-3H-isobenzofuran-1-one
Bdph
N-BUTYLIDENEPHTHALIDE
ligusticumlactone
3-Butylidenephtalide
3-butylidene-phthalid
(3Z)-3-Butylidene-2-benzofuran-1(3H)-one
3-Butylidene Phthalide
BUTYLIDENE PHTHALIDE
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