a,a-Dimethylphenethyl butyrate

Modify Date: 2025-09-05 13:13:31

a,a-Dimethylphenethyl butyrate Structure
a,a-Dimethylphenethyl butyrate structure
 Common Name a,a-Dimethylphenethyl butyrate
CAS Number 10094-34-5 Molecular Weight 220.307
Density 1.0±0.1 g/cm3 Boiling Point 293.8±9.0 °C at 760 mmHg
Molecular Formula C14H20O2 Melting Point N/A
MSDS Chinese USA Flash Point 106.1±17.1 °C
Symbol GHS07
GHS07		 Signal Word Warning

 Names

Name 1,1-Dimethyl-2-phenylethyl butyrate
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.0±0.1 g/cm3
Boiling Point 293.8±9.0 °C at 760 mmHg
Molecular Formula C14H20O2
Molecular Weight 220.307
Flash Point 106.1±17.1 °C
Exact Mass 220.146332
PSA 26.30000
LogP 4.06
Vapour Pressure 0.0±0.6 mmHg at 25°C
Index of Refraction 1.493
InChIKey SHSGYHAHMQLYRB-UHFFFAOYSA-N
SMILES CCCC(=O)OC(C)(C)Cc1ccccc1

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
ET0130000
CHEMICAL NAME :
Butyric acid, alpha,alpha-dimethylphenethyl ester
CAS REGISTRY NUMBER :
10094-34-5
LAST UPDATED :
199701
DATA ITEMS CITED :
4
MOLECULAR FORMULA :
C14-H20-O2
MOLECULAR WEIGHT :
220.34
WISWESSER LINE NOTATION :
3VOX1&1&1R

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: 18,667,1980 ** ACUTE TOXICITY DATA **
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
>5 gm/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: 18,667,1980
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 :
FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 18,667,1980

 Safety Information

Symbol GHS07
GHS07
Signal Word Warning
Hazard Statements H315-H317
Precautionary Statements P280
Personal Protective Equipment Eyeshields;Faceshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter
Hazard Codes Xi: Irritant;
Risk Phrases R38
Safety Phrases S36/37-S61
RIDADR UN3082 9/PG 3
WGK Germany 2
RTECS ET0130000
Hazard Class 9.0
HS Code 2915600000

 Customs

HS Code 2915600000
Summary 2915600000 butanoic acids and pentanoic acids and their salts and esters VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:5.5% General tariff:30.0%

 Synonyms

Butanoic acid, 1,1-dimethyl-2-phenylethyl ester
MFCD00027132
Butyric acid, α,α-dimethylphenethyl ester
a,a-Dimethylphenethyl butyrate
(2-methyl-1-phenylpropan-2-yl) butanoate
α,α-Dimethylphenethyl butyrate
2-Methyl-1-phenyl-2-propanyl butyrate
2-methyl-1-phenylpropan-2-yl butanoate
2-Methyl-1-phenylpropan-2-yl butyrate
EINECS 233-221-8
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