UNII:S7S079H2C2

Modify Date: 2024-01-02 11:36:54

UNII:S7S079H2C2 structure	Common Name	UNII:S7S079H2C2
	CAS Number	90-27-7	Molecular Weight	164.201
	Density	1.1±0.1 g/cm3	Boiling Point	272.9±9.0 °C at 760 mmHg
	Molecular Formula	C₁₀H₁₂O₂	Melting Point	39-42ºC
	MSDS	Chinese USA	Flash Point	170.2±13.9 °C
	Symbol	GHS07	Signal Word	Warning

Name	2-phenylbutyric acid
Synonym	More Synonyms

Density	1.1±0.1 g/cm3
Boiling Point	272.9±9.0 °C at 760 mmHg
Melting Point	39-42ºC
Molecular Formula	C₁₀H₁₂O₂
Molecular Weight	164.201
Flash Point	170.2±13.9 °C
Exact Mass	164.083725
PSA	37.30000
LogP	2.38
Vapour Pressure	0.0±0.6 mmHg at 25°C
Index of Refraction	1.531
Storage condition	Refrigerator
Water Solubility	insoluble

UNII:S7S079H2C2 MSDS(Chinese)

CHEMICAL IDENTIFICATION

RTECS NUMBER :: ET5957500

CHEMICAL NAME :: Butyric acid, 2-phenyl-

CAS REGISTRY NUMBER :: 90-27-7

BEILSTEIN REFERENCE NO. :: 0509876

LAST UPDATED :: 199712

DATA ITEMS CITED :: 6

MOLECULAR FORMULA :: C10-H12-O2

MOLECULAR WEIGHT :: 164.22

WISWESSER LINE NOTATION :: QVY2&R

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

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

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 1154 mg/kg

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

REFERENCE :: BCFAAI Bollettino Chimico Farmaceutico. (Societa Editoriale Farmaceutica, Via Ausonio 12, 20123 Milan, Italy) V.33- 1894- Volume(issue)/page/year: 100,143,1961

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

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 1320 mg/kg

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

REFERENCE :: FRPSAX Farmaco, Edizione Scientifica. (Casella Postale 227, 27100 Pavia, Italy) V.8-43 1953-88 For publisher information, see FRMCE8 Volume(issue)/page/year: 13,286,1958

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

ROUTE OF EXPOSURE :: Subcutaneous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 800 mg/kg

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

REFERENCE :: AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. (Heymans Institute of Pharmacology, De Pintelaan 185, B-9000 Ghent, Belgium) V.4- 1898- Volume(issue)/page/year: 116,154,1958

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

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 320 mg/kg

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

REFERENCE :: CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) Volume(issue)/page/year: NX#03832

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

ROUTE OF EXPOSURE :: Unreported

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 1060 mg/kg

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

REFERENCE :: FRPSAX Farmaco, Edizione Scientifica. (Casella Postale 227, 27100 Pavia, Italy) V.8-43 1953-88 For publisher information, see FRMCE8 Volume(issue)/page/year: 16,23,1961

Symbol	GHS07
Signal Word	Warning
Hazard Statements	H302
Personal Protective Equipment	dust mask type N95 (US);Eyeshields;Gloves
Hazard Codes	Xn:Harmful
Risk Phrases	R22
Safety Phrases	S22-S36
RIDADR	NONH for all modes of transport
WGK Germany	3
RTECS	ET5957500
HS Code	29163900

Precursor 8
CAS#:873-66-5 Benzene,(1E)-1-... CAS#:201230-82-2 carbon monoxide CAS#:36854-57-6 2-Phenylbutyryl... CAS#:769-68-6 2-phenylbutyron...
CAS#:103-82-2 Phenylacetic acid CAS#:74-96-4 Bromoethane CAS#:67174-27-0 diphenyl N-[2-p... CAS#:1519-21-7 2-phenylbutanoy...
DownStream 8
CAS#:4286-15-1 (S)-(+)-2-METHY... CAS#:1239016-30-8 di(1-naphthyl)m... CAS#:938-79-4 (r)-(-)-2-pheny... CAS#:93-55-0 Phenyl ethyl ketone
CAS#:93-54-9 phenyl propanol CAS#:100-52-7 Benzaldehyde CAS#:1519-21-7 2-phenylbutanoy... CAS#:90-26-6 Benzeneacetamid...

HS Code	2916399090
Summary	2916399090 other aromatic monocarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and their derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

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A generic chiral separation strategy for the analysis of acidic compounds in CEC is proposed in completion of an earlier defined strategy for nonacidic compounds. The screening step of this strategy u...

4-Phenylbutyrate attenuates the ER stress response and cyclic AMP accumulation in DYT1 dystonia cell models.

PLoS ONE 9(11) , e110086, (2014)

Dystonia is a neurological disorder in which sustained muscle contractions induce twisting and repetitive movements or abnormal posturing. DYT1 early-onset primary dystonia is the most common form of ...

Epigenetic silencing of genes and microRNAs within the imprinted Dlk1-Dio3 region at human chromosome 14.32 in giant cell tumor of bone.

BMC Cancer 14 , 495, (2014)

Growing evidence exists that the neoplastic stromal cell population (GCTSC) within giant cell tumors (GCT) originates from mesenchymal stem cells (MSC). In a previous study we identified a microRNA si...

2-Phenylbutanoic acid

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2-Phenylbutyric acid

EINECS 201-982-5

a-Ethylphenylacetic acid

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UNII:S7S079H2C2

(RS)-2-Phenylbutanoic acid

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MFCD00002667

PHENYLBUTYRIC ACID

Shanghai Nianxing Industrial Co., Ltd
China
Product Name: UNII:S7S079H2C2
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Purity: 98.0%
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Shanghai Jizhi Biochemical Technology Co., Ltd
China
Product Name: UNII:S7S079H2C2
Price: ￥628.0/500g ￥188.0/100g
Purity: 99.0%
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Dayang Chem (Hangzhou) Co., Ltd.
China
Product Name: 2-Phenylbutyric acid
Price: $Inquiry/100g $Inquiry/1kg $Inquiry/100kg $Inquiry/1000kg
Purity: 98.0%
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Contact: Ms Wang
Email: enquiry@dycnchem.com

Henan Tianfu Chemical Co., Ltd.
China
Product Name: 2-Phenylbutyric acid
Price: $Inquiry/1kg $Inquiry/25kg $Inquiry/1000kg $Inquiry/10ton
Purity: 99.0%
Delivery: Inquiry
Contact: Anson
Email: info@tianfuchem.com

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