CAS 31654-77-0|(9Z,12E)-tetradeca-9,12-dien-1-yl acetate|cis-9,trans-12-Tetradecadienyl acetate|(9Z,12E)-tetradeca-9,12-dien-1-yl acetate|(Z,E)-9,12-TDDA

Molecular Formula

C₁₆H₂₈O₂

Molecular Mass

252.39232

Exact Mass

252.20893014

InChI

InChI=1S/C16H28O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-16(2)17/h3-4,6-7H,5,8-15H2,1-2H3/b4-3+,7-6-

InChIKey

ZZGJZGSVLNSDPG-FDTUMDBZSA-N

Canonic Smiles

C/C=C/C/C=C\CCCCCCCCOC(=O)C

Isomeric Smiles

C/C=C/C/C=C\CCCCCCCCOC(=O)C

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

4.968291

LogD (pH = 7.4)

4.968291

Log P

4.968291

Molar Refractivity

79.5296

Polarizability

30.498846

Polar Surface Area

26.3

Rotatable Bonds

Lipinski's Rule of Five

true

Commercial Catalog

Academic Data

IUPAC name

(9Z,12E)-tetradeca-9,12-dien-1-yl acetate

Synonyms

cis-9,trans-12-Tetradecadienyl acetate(Z,E)-9,12-TDDA

IUPAC Traditional name

(9Z,12E)-tetradeca-9,12-dien-1-yl acetate

PubChem SID

24899919162226483

CAS Number

31654-77-0

MDL Number

MFCD00009868

Physical Property

Flash Point

62 °C

143.6 °F

Safety Information

GHS Hazard statements

H315-H319-H335

GHS Signal Word

Warning

Irritant (Xi)

P261-P305+P351+P338

Acute toxicity (oral, dermal, inhalation), category 4

Skin irritation, category 2

Eye irritation, category 2

Skin sensitisation, category 1

Specific Target Organ Toxicity – Single exposure, category 3

36/37/38

-20°C

dust mask type N95 (US), Eyeshields, Gloves

26-36/37/39

Product Information

≥85% (GC)

No Data Available

Click here to submit data

No Data Available

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Sigma Aldrich

T0893

Biochem/physiol Actions
Pheromone for Anagasta kuhniella, Cadra elutella, Cadra figulilella, Cadra cautella, Plodia interpunctella, Spodoptera exigua, Spodoptera exempta and Spodoptera litura.

No Data Available

Click here to submit data

Commercial Catalog

Academic Data

IUPAC name

(9Z,12E)-tetradeca-9,12-dien-1-yl acetate

Synonyms

cis-9,trans-12-Tetradecadienyl acetate(Z,E)-9,12-TDDA

IUPAC Traditional name

(9Z,12E)-tetradeca-9,12-dien-1-yl acetate

PubChem SID

CAS Number

MDL Number

T0893

Biochem/physiol Actions
Pheromone for Anagasta kuhniella, Cadra elutella, Cadra figulilella, Cadra cautella, Plodia interpunctella, Spodoptera exigua, Spodoptera exempta and Spodoptera litura.

No Data Available

Click here to submit data

Physical Property

Flash Point

62 °C

143.6 °F

Safety Information

GHS Hazard statements

H315-H319-H335

GHS Signal Word

Warning

Irritant (Xi)

P261-P305+P351+P338

Acute toxicity (oral, dermal, inhalation), category 4

Skin irritation, category 2

Eye irritation, category 2

Skin sensitisation, category 1

Specific Target Organ Toxicity – Single exposure, category 3

36/37/38

-20°C

dust mask type N95 (US), Eyeshields, Gloves

26-36/37/39

Product Information

≥85% (GC)

Molecule

ID:132206