3-methyl-3-phenylbutanoic acid

Modify Date: 2025-08-27 15:41:04

3-methyl-3-phenylbutanoic acid structure	Common Name	3-methyl-3-phenylbutanoic acid
	CAS Number	1010-48-6	Molecular Weight	178.22800
	Density	1.065g/cm3	Boiling Point	286.6ºC at 760mmHg
	Molecular Formula	C₁₁H₁₄O₂	Melting Point	60°C
	MSDS	N/A	Flash Point	183.8ºC

Name	3-methyl-3-phenylbutanoic acid
Synonym	More Synonyms

Density	1.065g/cm3
Boiling Point	286.6ºC at 760mmHg
Melting Point	60°C
Molecular Formula	C₁₁H₁₄O₂
Molecular Weight	178.22800
Flash Point	183.8ºC
Exact Mass	178.09900
PSA	37.30000
LogP	2.43890
Vapour Pressure	0.00122mmHg at 25°C
Index of Refraction	1.519
InChIKey	JTZZMXVIHNHASS-UHFFFAOYSA-N
SMILES	CC(C)(CC(=O)O)c1ccccc1

CHEMICAL IDENTIFICATION

RTECS NUMBER :: MW5158800

CHEMICAL NAME :: Hydrocinnamic acid, beta,beta-dimethyl-

CAS REGISTRY NUMBER :: 1010-48-6

BEILSTEIN REFERENCE NO. :: 2088152

LAST UPDATED :: 199612

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C11-H14-O2

MOLECULAR WEIGHT :: 178.25

WISWESSER LINE NOTATION :: QV1X1&1&R

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

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

ROUTE OF EXPOSURE :: Unreported

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 1550 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

Hazard Codes	Xi
HS Code	2916399090

Precursor 9
CAS#:541-47-9 3,3-Dimethylacr... CAS#:71-43-2 benzene CAS#:124-38-9 Carbon dioxide CAS#:24394-66-9 3-methyl-3-phen...
CAS#:7403-42-1 2-Pentanone,4-m... CAS#:515-40-2 2-methyl-2-phen... CAS#:35293-35-7 2-methyl-2-phen... CAS#:17684-33-2 3-methyl-3-phen...
CAS#:109-99-9 thf
DownStream 10
CAS#:4481-30-5 (1,2-Dimethylpr... CAS#:21438-74-4 Benzenepropanol... CAS#:2979-69-3 4,4-Dimethyl-3,... CAS#:10271-33-7 Benzeneacetic a...
CAS#:2049-95-8 tert-Pentylbenzene CAS#:33214-57-2 Benzenebutanol,... CAS#:31952-55-3 4,4-DIMETHYLISO... CAS#:17648-05-4 2,5-dimethyl-2,...
CAS#:166978-00-3 6-Hydroxy-3,3-d... CAS#:26465-81-6 3,3-Dimethyl-1-...

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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Shanghai Nianxing Industrial Co., Ltd
China
Product Name: 3-methyl-3-phenylbutanoic acid
Price: Check
Purity: 95.0%
Delivery: 10 Day
Contact: Yang
Email: sales@echemcloud.com

Dayang Chem (Hangzhou) Co., Ltd.
China
Product Name: 3-Methyl-3-phenylbutanoic acid
Price: $Inquiry/100g $Inquiry/1kg $Inquiry/100kg $Inquiry/1000kg
Purity: 98.0%
Delivery: Inquiry
Contact: Ms Wang
Email: enquiry@dycnchem.com

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3-methyl-3-phenylbutanoic acid

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Chemical & Physical Properties

Toxicological Information

CHEMICAL IDENTIFICATION

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

Safety Information

Synthetic Route

Precursor & DownStream

Customs

Synonyms

The content on this webpage is sourced from various professional data sources. If you have any questions or concerns regarding the content, please feel free to contact service1@chemsrc.com.