(3Z)-3-Hexen-1-yl phenylacetate

Modify Date: 2025-08-26 12:02:53

(3Z)-3-Hexen-1-yl phenylacetate Structure
(3Z)-3-Hexen-1-yl phenylacetate structure
 Common Name (3Z)-3-Hexen-1-yl phenylacetate
CAS Number 42436-07-7 Molecular Weight 218.292
Density 1.0±0.1 g/cm3 Boiling Point 309.6±21.0 °C at 760 mmHg
Molecular Formula C14H18O2 Melting Point N/A
MSDS Chinese USA Flash Point 119.5±20.4 °C

 Names

Name cis-3-Hexenyl phenylacetate
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.0±0.1 g/cm3
Boiling Point 309.6±21.0 °C at 760 mmHg
Molecular Formula C14H18O2
Molecular Weight 218.292
Flash Point 119.5±20.4 °C
Exact Mass 218.130676
PSA 26.30000
LogP 4.20
Vapour Pressure 0.0±0.7 mmHg at 25°C
Index of Refraction 1.511
InChIKey FJKFIIYSBXHBCT-UHFFFAOYSA-N
SMILES CCC=CCCOC(=O)Cc1ccccc1

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
CY1630000
CHEMICAL NAME :
Benzeneacetic acid, 3-hexenyl ester, (Z)-
CAS REGISTRY NUMBER :
42436-07-7
BEILSTEIN REFERENCE NO. :
3266406
LAST UPDATED :
199701
DATA ITEMS CITED :
4
MOLECULAR FORMULA :
C14-H18-O2
MOLECULAR WEIGHT :
218.32
WISWESSER LINE NOTATION :
3U3OV1R

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: 17,803,1979 ** 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: 17,803,1979
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: 17,803,1979

 Safety Information

Personal Protective Equipment Eyeshields;Gloves
RIDADR NONH for all modes of transport
WGK Germany 2
RTECS CY1630000
HS Code 2916399090

 Synthetic Route

3-hexen-1-ol structure

3-hexen-1-ol

CAS#:544-12-7

Phenylacetyl chloride structure

Phenylacetyl ch...

CAS#:103-80-0

~%

(3Z)-3-Hexen-1-yl phenylacetate Structure

(3Z)-3-Hexen-1-...

CAS#:42436-07-7

Literature: Walbaum Journal fuer Praktische Chemie (Leipzig), 1917 , vol. <2>96, p. 249

 Precursor & DownStream

Precursor  2

DownStream  0

 Customs

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%

 Synonyms

EINECS 255-826-6
Benzeneacetic acid, (3Z)-3-hexen-1-yl ester
(3Z)-3-Hexen-1-yl phenylacetate
hex-3-enyl 2-phenylacetate
cis-3-Hexen-1-yl Phenylacetate
(3Z)-Hex-3-en-1-yl phenylacetate
MFCD00036531
Phenylacetic Acid cis-3-Hexen-1-yl Ester
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