3-Cyclohexene-1-methanol, 4-methyl-

HCID 564672
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Basic information

CAS
39155-38-9
Standard SMILES
CC1=CCC(CO)CC1
InChIKey
TXBCFLDVMGKXEO-UHFFFAOYSA-N
Molecular formula
C8H14O
Average molar mass
126.2 g/mol
Monoisotopic mass
126.10446507

Names & identifiers

Preferred name
3-Cyclohexene-1-methanol, 4-methyl-
IUPAC
(4-methylcyclohex-3-en-1-yl)methanol
English name
(4-methyl-3-cyclohexen-1-yl)methanol(SALTDATA: FREE)
Molecular formula
C8H14O
Molecular weight
126.2

Names & synonyms

39155-38-93-cyclohexene-1-methanol, 4-methyl-DTXSID60340434RefChem:278770DTXCID80291515(4-methylcyclohex-3-en-1-yl)methanol(4-Methyl-3-cyclohexen-1-yl)methanolMFCD01451643(4-Methyl-cyclohex-3-enyl)-methanolSCHEMBL5219774-methyl-3-cyclohexenylmethanol(4-methylcyclohex-3-enyl)methanol
Show more names
(1-methylcyclohex-1-en-4-yl)-methanol(4-methyl-3-cyclohexen-1-yl)methanol(SALTDATA: FREE)
STK067906AKOS000365377AKOS022060586SB85250(4-Methyl-3-cyclohexen-1-yl)methanol #BS-37846DA-42551CS-0117115

Database identifiers

CAS
39155-38-9
PubChem CID
564672
DTXSID
DTXSID60340434
Nikkaji
J1.493.872I

Properties

Computed structural properties

XLogP
1.2
Topological polar surface area
20.2 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
1
Rotatable bonds
1
Heavy atoms
9

Physicochemical properties

Boiling point
105 °C · 105 °C(Press: 20 Torr)
Density
0.925 · 0.925±0.06 g/cm3(Predicted)
pka
14.96 · 14.96±0.10(Predicted)
Symbol(GHS)
7 · GHS07
Signal word
Warning
Hazard statements
319 · H319-H335-H315

Safety & regulation

Safety data

hs_code
2906190090
Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H319-H335-H315
Precautionary statements
P271-P261-P280

Chemistry & industry

Upstream & downstream products

Suppliers3 total

上海创焰化学科技有限公司021-11111111 11111111111 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 15955137747 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]

Related reactions

7 records
New reaction record

Compound notes

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