CAS 6066-49-5|3-n-Butylphthalide

Introduction：Basic information about CAS 6066-49-5|3-n-Butylphthalide, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.

Table of Contents

1. Names
2. 3-n-Butylphthalide BiologicalActivity
3. Chemical & Physical Properties
4. Toxicological Information
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
5. Safety Information
6. Customs
7. Synonyms

Common Name	3-n-Butylphthalide
CAS Number	6066-49-5	Molecular Weight	190.238
Density	1.1±0.1 g/cm3	Boiling Point	312.8±31.0 °C at 760 mmHg
Molecular Formula	C₁₂H₁₄O₂	Melting Point	/
MSDS	ChineseUSA	Flash Point	128.3±22.2 °C

Names

Name	3-Butylisobenzofuran-1(3H)-one
Synonym	More Synonyms

3-n-Butylphthalide BiologicalActivity

Description	Butylphthalide(3-n-Butylphthalide) is an anti-cerebral-ischemia drug; first isolated from the seeds of celery, showed efficacy in animal models of stroke.IC50 value:Target:3-n-butylphthalide alleviates oxidative stress caused by chronic cerebral ischemia, improves cholinergic function, and inhibits amyloid beta accumulation, thereby improving cerebral neuronal injury and cognitive deficits [2]. Intragastric NBP administration to 4-month-old SAMP8 mice for 2 months significantly improved spatial learning and memory ability. Moreover, the loss of choline acetyltransferase (ChAT)-positive neurons in the medial septal nucleus and the vertical limb of the diagonal band in SAMP8 mice was slowed down, as was the decline in the protein and mRNA expression of ChAT in the hippocampus, cerebral cortex, and forebrain [4].
Related Catalog	Signaling Pathways >>Others >>OthersNatural Products >>OthersResearch Areas >>Neurological Disease
References	[1]. Cui LY, et al. Ninety-day administration of dl-3-n-butylphthalide for acute ischemic stroke: a randomized, double-blind trial. Chin Med J (Engl). 2013;126(18):3405-10. [2]. Zhao W, et al. 3-N-butylphthalide improves neuronal morphology after chronic cerebral ischemia. Neural Regen Res. 2014 Apr 1;9(7):719-26. [3]. Wang X, et al. Design, synthesis and biological evaluation of hydrogen sulfide releasing derivatives of 3-n-butylphthalide as potential antiplatelet and antithrombotic agents. Org Biomol Chem. 2014 Aug 21;12(31):5995-6004. [4]. Wang F, et al. Improvement of cognitive deficits in SAMP8 mice by 3-n-butylphthalide. Neurol Res. 2014 Mar;36(3):224-33.

Description

Butylphthalide(3-n-Butylphthalide) is an anti-cerebral-ischemia drug; first isolated from the seeds of celery, showed efficacy in animal models of stroke.IC50 value:Target:3-n-butylphthalide alleviates oxidative stress caused by chronic cerebral ischemia, improves cholinergic function, and inhibits amyloid beta accumulation, thereby improving cerebral neuronal injury and cognitive deficits [2]. Intragastric NBP administration to 4-month-old SAMP8 mice for 2 months significantly improved spatial learning and memory ability. Moreover, the loss of choline acetyltransferase (ChAT)-positive neurons in the medial septal nucleus and the vertical limb of the diagonal band in SAMP8 mice was slowed down, as was the decline in the protein and mRNA expression of ChAT in the hippocampus, cerebral cortex, and forebrain [4].

Related Catalog

Signaling Pathways >>Others >>OthersNatural Products >>OthersResearch Areas >>Neurological Disease

References

[1]. Cui LY, et al. Ninety-day administration of dl-3-n-butylphthalide for acute ischemic stroke: a randomized, double-blind trial. Chin Med J (Engl). 2013;126(18):3405-10.

[2]. Zhao W, et al. 3-N-butylphthalide improves neuronal morphology after chronic cerebral ischemia. Neural Regen Res. 2014 Apr 1;9(7):719-26.

[3]. Wang X, et al. Design, synthesis and biological evaluation of hydrogen sulfide releasing derivatives of 3-n-butylphthalide as potential antiplatelet and antithrombotic agents. Org Biomol Chem. 2014 Aug 21;12(31):5995-6004.

[4]. Wang F, et al. Improvement of cognitive deficits in SAMP8 mice by 3-n-butylphthalide. Neurol Res. 2014 Mar;36(3):224-33.

Chemical & Physical Properties

Density	1.1±0.1 g/cm3
Boiling Point	312.8±31.0 °C at 760 mmHg
Molecular Formula	C₁₂H₁₄O₂
Molecular Weight	190.238
Flash Point	128.3±22.2 °C
Exact Mass	190.099380
PSA	26.30000
LogP	3.08
Vapour Pressure	0.0±0.7 mmHg at 25°C
Index of Refraction	1.525
InChIKey	HJXMNVQARNZTEE-UHFFFAOYSA-N
SMILES	CCCCC1OC(=O)c2ccccc21

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: TI3692000

CHEMICAL NAME :: Phthalide, 3-butyl-

CAS REGISTRY NUMBER :: 6066-49-5

LAST UPDATED :: 199701

DATA ITEMS CITED :: 3

MOLECULAR FORMULA :: C12-H14-O2

MOLECULAR WEIGHT :: 190.26

WISWESSER LINE NOTATION :: T56 BVO DHJ D4

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: Standard Draize test

ROUTE OF EXPOSURE :: Administration onto the skin

SPECIES OBSERVED :: Rodent - rabbit

REFERENCE :: FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 17,251,1979 ** ACUTE TOXICITY DATA **

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 2450 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 17,251,1979

Safety Information

HS Code	2932209090

Customs

HS Code	2932209090
Summary	2932209090. other lactones. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

Synonyms

3-Butyl-phthalide

1(3H)-Isobenzofuranone, 3-butyl-

3-Butyl-2-benzofuran-1(3H)-one

UNII:822Q956KGM

Butylphthalide

3-n-butylphthalide

3-Butylphthalide

EINECS 228-000-8

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