Phenethyl isobutyrate

Modify Date: 2026-07-17 16:59:39

Phenethyl isobutyrate structure	Common Name	Phenethyl isobutyrate
	CAS Number	103-48-0	Molecular Weight	192.254
	Density	1.0±0.1 g/cm3	Boiling Point	264.0±9.0 °C at 760 mmHg
	Molecular Formula	C₁₂H₁₆O₂	Melting Point	N/A
	MSDS	Chinese USA	Flash Point	108.3±0.0 °C

Name	phenethyl isobutyrate
Synonym	More Synonyms

Density	1.0±0.1 g/cm3
Boiling Point	264.0±9.0 °C at 760 mmHg
Molecular Formula	C₁₂H₁₆O₂
Molecular Weight	192.254
Flash Point	108.3±0.0 °C
Exact Mass	192.115036
PSA	26.30000
LogP	3.18
Vapour Pressure	0.0±0.5 mmHg at 25°C
Index of Refraction	1.495
InChIKey	JDQVBGQWADMTAM-UHFFFAOYSA-N
SMILES	CC(C)C(=O)OCCc1ccccc1

Phenethyl isobutyrate MSDS(Chinese)

CHEMICAL IDENTIFICATION

RTECS NUMBER :: NQ5435000

CHEMICAL NAME :: Isobutyric acid, phenethyl ester

CAS REGISTRY NUMBER :: 103-48-0

BEILSTEIN REFERENCE NO. :: 2330243

LAST UPDATED :: 199701

DATA ITEMS CITED :: 4

MOLECULAR FORMULA :: C12-H16-O2

MOLECULAR WEIGHT :: 192.28

WISWESSER LINE NOTATION :: 1Y1&VO2R

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

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

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 5200 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: 16,847,1978 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - 83219 No. of Facilities: 67 (estimated) No. of Industries: 2 No. of Occupations: 20 No. of Employees: 3895 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - 83219 No. of Facilities: 833 (estimated) No. of Industries: 2 No. of Occupations: 9 No. of Employees: 6853 (estimated) No. of Female Employees: 3615 (estimated)

Personal Protective Equipment	Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter
RIDADR	NONH for all modes of transport
WGK Germany	2
RTECS	NQ5435000
HS Code	2915600000

Phenethyl alcohol

CAS#:60-12-8

Isobutyric acid

CAS#:79-31-2

~94%

Phenethyl isobu...

CAS#:103-48-0

Learn More

Literature: Isobe, Toshio; Ishikawa, Tsutomu Journal of Organic Chemistry, 1999 , vol. 64, # 19 p. 6984 - 6988

Phenethyl alcohol

CAS#:60-12-8

Ethyl isobutyrate

CAS#:97-62-1

~94%

Phenethyl isobu...

CAS#:103-48-0

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Literature: Weng, Shiue-Shien; Ke, Chih-Shueh; Chen, Fong-Kuang; Lyu, You-Fu; Lin, Guan-Ying Tetrahedron, 2011 , vol. 67, # 9 p. 1640 - 1648

Phenethyl alcohol

CAS#:60-12-8

Isobutyric acid...

CAS#:97-72-3

~98%

Phenethyl isobu...

CAS#:103-48-0

Learn More

Literature: Qiu, Renhua; Zhang, Guoping; Ren, Xiaofang; Xu, Xinhua; Yang, Ronghua; Luo, Shenglian; Yin, Shuangfeng Journal of Organometallic Chemistry, 2010 , vol. 695, # 8 p. 1182 - 1188

Phenethyl alcohol

CAS#:60-12-8

2-Isobutyrylcyc...

CAS#:39207-65-3

~14%

N/A

CAS#:1241621-67-9

Phenethyl isobu...

CAS#:103-48-0

Learn More

Literature: Chemistry - An Asian Journal, , vol. 5, # 4 p. 941 - 945

1,5-Pentanediol

CAS#:111-29-5

Phenethyl alcohol

CAS#:60-12-8

Isobutyric acid...

CAS#:97-72-3

~6%

Phenethyl isobu...

CAS#:103-48-0

Detail Learn More

Literature: Angewandte Chemie - International Edition, , vol. 50, # 21 p. 4888 - 4892

Phenethyl alcohol

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2-Methylpropano...

CAS#:79-30-1

Phenethyl isobu...

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Literature: Tetrahedron, , vol. 56, # 25 p. 4253 - 4260

Phenethyl alcohol

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Phenethyl isobu...

CAS#:103-48-0

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Literature: Journal of Organic Chemistry, , vol. 59, # 16 p. 4671 - 4676

benzene

CAS#:71-43-2

Phenethyl isobu...

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Literature: Russian Journal of Applied Chemistry, , vol. 79, # 3 p. 408 - 410

phenethyl 2-bro...

CAS#:43216-34-8

Phenethyl isobu...

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Literature: Tetrahedron Letters, , vol. 36, # 23 p. 3997 - 4000

Precursor 9
CAS#:60-12-8 Phenethyl alcohol CAS#:79-31-2 Isobutyric acid CAS#:97-62-1 Ethyl isobutyrate CAS#:97-72-3 Isobutyric acid...
CAS#:39207-65-3 2-Isobutyrylcyc... CAS#:111-29-5 1,5-Pentanediol CAS#:79-30-1 2-Methylpropano... CAS#:71-43-2 benzene
CAS#:43216-34-8 phenethyl 2-bro...
DownStream 2
CAS#:547-63-7 Methyl isobutyrate CAS#:60-12-8 Phenethyl alcohol

HS Code	2915900090
Summary	2915900090 other saturated acyclic monocarboxylic acids and their anhydrides, halides, peroxides and peroxyacids; their halogenated, sulphonated, nitrated or nitrosated derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward) MFN tariff:5.5% General tariff:30.0%

Fragrance material review on phenethyl isobutyrate.

Food Chem. Toxicol. 50 Suppl 2 , S416-9, (2012)

A toxicologic and dermatologic review of phenethyl isobutyrate when used as a fragrance ingredient is presented. Phenethyl isobutyrate is a member of the fragrance structural group Aryl Alkyl Alcohol ...

Name: Cytochrome P450 Family 1 Subfamily A Member 2 (CYP1A2) small molecule antagonists: lu...
Source: 824
External Id: CYP273

Name: qHTS assay to identify small molecule antagonists of the peroxisome proliferator-acti...
Source: 824
Target: N/A
External Id: PPARGV841

Name: qHTS assay to identify small molecule agonists of the TGF-beta/Smad signaling pathway...
Source: 824
Target: N/A
External Id: TGF788

Name: qHTS assay to identify small molecule antagonists of the TGF-beta/Smad signaling path...
Source: 824
Target: N/A
External Id: TGF602

Name: qHTS assay to test for compound auto fluorescence at 535 nm (green) in HEK293 cell fr...
Source: 824
Target: N/A
External Id: SPEC167MG

Name: p53 small molecule agonists, cell-based qHTS assay: qHTS cell viability counter scree...
Source: 824
Target: N/A
External Id: P53600

Name: qHTS assay to identify small molecule agonists of the peroxisome proliferator-activat...
Source: 824
Target: N/A
External Id: PPARDV813

Name: qHTS assay to test for compound auto fluorescence at 590 nm (red) in HEK293 cell free...
Source: 824
Target: N/A
External Id: SPEC167MR

Name: p53 small molecule agonists, cell-based qHTS assay with rat liver microsomes: qHTS ce...
Source: 824
Target: N/A
External Id: P53MS958

Name: qHTS assay to test for compound auto fluorescence at 535 nm (green) in HEK293 cells
Source: 824
Target: N/A
External Id: SPEC167CG

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2-Phenylethyl 2-methylpropanoate

MFCD00026441

Isobutyric Acid Phenethyl Ester

Isobutyric Acid 2-Phenylethyl Ester

2-Phenylethyl Isobutyrate

Propanoic acid, 2-methyl-, 2-phenylethyl ester

EINECS 203-116-1

Phenethyl isobutyrate

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China
Product Name: Phenethyl isobutyrate
Price: Check
Purity: 98.0%
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Dayang Chem (Hangzhou) Co., Ltd.
China
Product Name: Phenethyl isobutyrate
Price: $Inquiry/100g $Inquiry/1kg $Inquiry/100kg $Inquiry/1000kg
Purity: 98.0%
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Phenethyl isobutyrate

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Phenethyl isobutyrateBioassay

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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.