CAS 141-11-7|3,7-dimethyloct-7-en-1-yl acetate|RHODINYL ACETATE|3,7-dimethyloct-7-en-1-yl acetate|Rhodinyl acetate|乙酸玫瑰酯

Molecular Formula

C₁₂H₂₂O₂

Molecular Mass

198.30188

Exact Mass

198.16197994

InChI

InChI=1S/C12H22O2/c1-10(2)6-5-7-11(3)8-9-14-12(4)13/h11H,1,5-9H2,2-4H3

InChIKey

WNXJCQNXNOOMDJ-UHFFFAOYSA-N

Canonic Smiles

CC(CCOC(=O)C)CCCC(=C)C

Isomeric Smiles

CC(CCCC(=C)C)CCOC(=O)C

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

3.2511144

LogD (pH = 7.4)

3.2511144

Log P

3.2511144

Molar Refractivity

58.5651

Polarizability

23.35703

Polar Surface Area

26.3

Rotatable Bonds

Lipinski's Rule of Five

true

Academic Data

PubChem

8833

IUPAC Traditional name

3,7-dimethyloct-7-en-1-yl acetate

Synonyms

RHODINYL ACETATERhodinyl acetate乙酸玫瑰酯

IUPAC name

3,7-dimethyloct-7-en-1-yl acetate

PubChem SID

16209702724901431

MDL Number

MFCD00048218

Council of Europe Number

223c

Product Information

Certificate of Analysis

Download link

Empirical Formula (Hill Notation)

C12H22O2

MSDS Link

Download link

RTECS

RH3425000

UN Number

1993

GHS Signal Word

Warning

GHS Hazard statements

H226

RID/ADR

UN 1993 3/PG 3

Risk Statements

Hazard Class

German water hazard class

GHS Pictograms

Flammable gases, category 1

Flammable aerosols, categories 1,2

Flammable liquids, categories 1,2,3

Self-reactive substances and mixtures, Types B,C,D,E,F

Pyrophoric liquids, category 1

Pyrophoric solids, category 1

Self-heating substances and mixtures

Substances and mixtures, which in contact with water, emit flammable gases, categories 1,2,3

Organic peroxides, Types B,C,D,E,F

Packing Group

Personal Protective Equipment

Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

Safety Statements

16-26-36

Physical Property

Boiling Point

237 °C(lit.)

Flash Point

114.8 °F

46 °C

Organoleptic

berry; honey; floral

Refractive Index

n20/D 1.4540(lit.)

Density

0.896 g/mL at 25 °C(lit.)

No Data Available

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No Data Available

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MP Biomedicals

05218114

MP Biomedicals Rare Chemical collection

No Data Available

Click here to submit data

Academic Data

PubChem

8833

IUPAC Traditional name

3,7-dimethyloct-7-en-1-yl acetate

Synonyms

RHODINYL ACETATERhodinyl acetate乙酸玫瑰酯

IUPAC name

3,7-dimethyloct-7-en-1-yl acetate

PubChem SID

16209702724901431

MDL Number

MFCD00048218

Council of Europe Number

223c

Product Information

Certificate of Analysis

Download link

Empirical Formula (Hill Notation)

C12H22O2

Safety Information

Physical Property

Boiling Point

237 °C(lit.)

Flash Point

114.8 °F

46 °C

Organoleptic

berry; honey; floral

Refractive Index

n20/D 1.4540(lit.)

Density

0.896 g/mL at 25 °C(lit.)

MP Biomedicals

05218114

MP Biomedicals Rare Chemical collection

No Data Available

Click here to submit data

Molecule

ID:111192