CAS 66051-01-2|(S)-(+)-2-甲氧基-2-苯乙醇|(S)-(+)-2-Methoxy-2-phenylethanol|(2S)-2-methoxy-2-phenylethan-1-ol|β-甲氧基苯乙醇|(+)-β-甲氧基苯乙醇|(2S)-2-methoxy-2-phenylethanol|(+)-β-Methoxyphenethy...

Molecular Formula

C₉H₁₂O₂

Molecular Mass

152.19038

Exact Mass

152.08372962

InChI

InChI=1S/C9H12O2/c1-11-9(7-10)8-5-3-2-4-6-8/h2-6,9-10H,7H2,1H3/t9-/m1/s1

InChIKey

JDTUPLBMGDDPJS-SECBINFHSA-N

Canonic Smiles

OC[C@H](c1ccccc1)OC

Isomeric Smiles

CO[C@H](CO)c1ccccc1

JChem

Acid pKa

14.574953

H Acceptors

H Donor

LogD (pH = 5.5)

1.2186877

LogD (pH = 7.4)

1.2186875

Log P

1.2186877

Molar Refractivity

43.5876

Polarizability

17.156488

Polar Surface Area

29.46

Rotatable Bonds

Lipinski's Rule of Five

true

Commercial Catalog

Academic Data

Synonyms

β-甲氧基苯乙醇(S)-(+)-2-Methoxy-2-phenylethanol(S)-(+)-2-甲氧基-2-苯乙醇(+)-β-甲氧基苯乙醇(+)-β-Methoxyphenethyl alcoholβ-Methoxyphenethyl alcohol

IUPAC name

(2S)-2-methoxy-2-phenylethan-1-ol

IUPAC Traditional name

(2S)-2-methoxy-2-phenylethanol

CAS Number

66051-01-2

MDL Number

MFCD00064515

PubChem SID

24858236162226038

Physical Property

Apperance

light yellow

Boiling Point

65 °C/0.1 mmHg(lit.)

Flash Point

208.4 °F

98 °C

Refractive Index

n20/D 1.52(lit.)

Density

1.054 g/mL at 25 °C(lit.)

Optical Rotation

[α]19/D +133°, c = 1 in acetone

Safety Information

Risk Statements

20/21/22-36/37/38

German water hazard class

European Hazard Symbols

Harmful (Xn)

P261-P280-P305+P351+P338

26-36

Warning

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

H302-H312-H315-H319-H332-H335

Download link

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

Product Information

Linear Formula

C6H5CH(OCH3)CH2OH

Optical Purity

ee: 99% (GLC)

Purity

98%

No Data Available

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No Data Available

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Sigma Aldrich

M5648

Caution
储存时颜色可能变深

302147

Packaging
50, 250 mg in glass bottle

No Data Available

Click here to submit data

Commercial Catalog

Academic Data

Synonyms

β-甲氧基苯乙醇(S)-(+)-2-Methoxy-2-phenylethanol(S)-(+)-2-甲氧基-2-苯乙醇(+)-β-甲氧基苯乙醇(+)-β-Methoxyphenethyl alcoholβ-Methoxyphenethyl alcohol

IUPAC name

(2S)-2-methoxy-2-phenylethan-1-ol

IUPAC Traditional name

(2S)-2-methoxy-2-phenylethanol

CAS Number

MDL Number

PubChem SID

M5648

Caution
储存时颜色可能变深

302147

Packaging
50, 250 mg in glass bottle

No Data Available

Click here to submit data

Physical Property

Apperance

light yellow

Boiling Point

65 °C/0.1 mmHg(lit.)

Flash Point

208.4 °F

98 °C

Refractive Index

n20/D 1.52(lit.)

Density

1.054 g/mL at 25 °C(lit.)

Optical Rotation

[α]19/D +133°, c = 1 in acetone

Safety Information

Risk Statements

20/21/22-36/37/38

German water hazard class

European Hazard Symbols

Harmful (Xn)

P261-P280-P305+P351+P338

26-36

Warning

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

H302-H312-H315-H319-H332-H335

Download link

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

Product Information

Linear Formula

C6H5CH(OCH3)CH2OH

Optical Purity

ee: 99% (GLC)

Purity

98%

Molecule

ID:131761