tea acetate

Modify Date: 2025-09-14 16:34:47

tea acetate Structure
tea acetate structure
Common Name tea acetate
CAS Number 72007-81-9 Molecular Weight 220.30700
Density 0.979g/cm3 Boiling Point 303ºC at 760 mmHg
Molecular Formula C14H20O2 Melting Point N/A
MSDS N/A Flash Point 112.1ºC

 Names

Name (3-methyl-1-phenylpentan-3-yl) acetate
Synonym More Synonyms

 Chemical & Physical Properties

Density 0.979g/cm3
Boiling Point 303ºC at 760 mmHg
Molecular Formula C14H20O2
Molecular Weight 220.30700
Flash Point 112.1ºC
Exact Mass 220.14600
PSA 26.30000
LogP 3.35100
Index of Refraction 1.493
InChIKey HIWRBTFSEFIZNE-UHFFFAOYSA-N
SMILES CCC(C)(CCc1ccccc1)OC(C)=O

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
SA7625000
CHEMICAL NAME :
3-Pentanol, 3-methyl-1-phenyl-, acetate
CAS REGISTRY NUMBER :
72007-81-9
BEILSTEIN REFERENCE NO. :
3260573
LAST UPDATED :
199701
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C14-H20-O2
MOLECULAR WEIGHT :
220.34
WISWESSER LINE NOTATION :
1VOX2&1&2R

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: 14,833,1976

 Synthetic Route

~%

tea acetate Structure

tea acetate

CAS#:72007-81-9

Literature: Arai; Murata Kogyo Kagaku Zasshi, 1958 , vol. 61, p. 563,565 Chem.Abstr., 1961 , p. 10371

 Precursor & DownStream

Precursor  1

DownStream  0

 Synonyms

acetic acid-(1-ethyl-1-methyl-3-phenyl-propyl ester)
Phenylethyl methylethylcarbinyl acetate
Methylethyl phenylethyl carbinyl acetate
3-methyl-1-phenylpentan-3-yl acetate
3-Pentanol,3-methyl-1-phenyl-,acetate
EINECS 276-282-6
1-Ethyl-1-methyl-3-phenylpropyl acetate
1-Phenyl-3-methyl-3-pentanyl acetate
Phenethylmethylethylcarbinyl acetate
Essigsaeure-(1-aethyl-1-methyl-3-phenyl-propylester)
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