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2-Buten-1-one,1-(2-ethyl-6,6-dimethyl-1-cyclohexen-1-yl)-, (2E)- structure
2-Buten-1-one,1-(2-ethyl-6,6-dimethyl-1-cyclohexen-1-yl)-, (2E)- structure

2-Buten-1-one,1-(2-ethyl-6,6-dimethyl-1-cyclohexen-1-yl)-, (2E)-

Iupac Name:dideuterio-(2,3,4,5,6-pentadeuteriophenyl)methanol
CAS No.:71258-23-6
Molecular Weight:115.18
1. Names and Identifiers
1.1 Name
2-Buten-1-one,1-(2-ethyl-6,6-dimethyl-1-cyclohexen-1-yl)-, (2E)-
1.2 Synonyms

(E)-1-(2-Ethyl-6,6-dimethyl-1-cyclohexen)-1-yl-2-buten-1-one (E)-1-(2-Ethyl-6,6-dimethyl-1-cyclohexen-1-yl)-2-buten-1-one (E)-1-(2-ethyl-6,6-dimethylcyclohexen-1-yl)but-2-en-1-one 2-Buten-1-one, 1-(2-ethyl-6,6-dimethyl-1-cyclohexen-1-yl)-, (2E)- 2-Buten-1-one, 1-(2-ethyl-6,6-dimethyl-1-cyclohexen-1-yl)-, (E)- 2-Buten-1-one,1-(2-ethyl-6,6-dimethyl-1-cyclohexen-1-yl)-, (E)- 57934-98-2 DTXSID00886240 EINECS 261-021-0

1.3 CAS No.
71258-23-6
1.4 CID
16212467
1.5 Molecular Formula
C6H10O2 (isomer)
1.6 Inchi
InChI=1S/C7H8O/c8-6-7-4-2-1-3-5-7/h1-5,8H,6H2/i1D,2D,3D,4D,5D,6D2
1.7 InChkey
WVDDGKGOMKODPV-XZJKGWKKSA-N
1.8 Canonical Smiles
C1=CC=C(C=C1)CO
1.9 Isomers Smiles
[2H]C1=C(C(=C(C(=C1[2H])[2H])C([2H])([2H])O)[2H])[2H]
2. 3D Conformer
3. Properties
3.1 Density
1.039
3.2 Melting Point
-16--13 °C(lit.)
3.3 Boiling Point
114.6°Cat760mmHg
3.4 Refractive Index
n20/D 1.537(lit.)
3.5 Flash Point
357.9°C
4. Safety and Handling
4.1 Risk Statements
20/22
4.2 Safety Statements
Hazard Codes XnRisk Statements 20/22Safety Statements 26WGK Germany 3
5. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 4

Acute toxicity - Dermal, Category 4

Skin irritation, Category 2

Acute toxicity - Inhalation, Category 4

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H302 Harmful if swallowed

H312 Harmful in contact with skin

H315 Causes skin irritation

H332 Harmful if inhaled

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

P270 Do not eat, drink or smoke when using this product.

P280 Wear protective gloves/protective clothing/eye protection/face protection.

P261 Avoid breathing dust/fume/gas/mist/vapours/spray.

P271 Use only outdoors or in a well-ventilated area.

Response

P301+P312 IF SWALLOWED: Call a POISON CENTER/doctor/\u2026if you feel unwell.

P330 Rinse mouth.

P302+P352 IF ON SKIN: Wash with plenty of water/...

P312 Call a POISON CENTER/doctor/\u2026if you feel unwell.

P321 Specific treatment (see ... on this label).

P362+P364 Take off contaminated clothing and wash it before reuse.

P332+P313 If skin irritation occurs: Get medical advice/attention.

P304+P340 IF INHALED: Remove person to fresh air and keep comfortable for breathing.

Storage

none

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

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