Spinacen

Spinacene

squalene

Supraene

YYGNTYWPHWGJRM-AAJYLUCBSA-N

Skvalen

Super Squalene

trans-Squalene

AC1LCVLF

All-trans-Squalene

AC1Q1NVK

Nikko Squalane EX

MF59

AC1Q28HB

Squalene, Spinacene, Supraene

7QWM220FJH

GTPL3054

1977AC

C30H50

UNII-7QWM220FJH

CCRIS 711

QSPL 049

Squalene, all-trans-

CHEMBL458402

LS-525

NSC93748

PhytoSquene® [olive oil-derived Squalene]

C00751

HSDB 8242

AK115145

LP067385

CHEBI:15440

DSSTox_CID_6044

ZINC6845904

AJ-56905

CJ-13112

DSSTox_GSID_26044

NSC-93748

SC-66368

DSSTox_RID_77993

MFCD00008912

KB-225990

PhytoSquene(R) (olive oil-derived Squalene)

RTR-031960

ST24027355

TR-031960

AKOS015917344

I14-9704

J-002505

(E,E,E,E)-Squalene

Tox21_112789

Tox21_113239

111-02-4

Squalene, 98% 100g

7683-64-9

NCGC00181163-01

NCGC00181323-01

CAS-111-02-4

EINECS 203-826-1

11051-27-7

21245-10-3

94016-35-0

EC 203-826-1

SR-01000944749

3170-EP2269989A1

3170-EP2269990A1

3170-EP2272825A2

3170-EP2284160A1

3170-EP2287165A2

3170-EP2287166A2

3170-EP2292620A2

3170-EP2295406A1

3170-EP2298731A1

3170-EP2298772A1

3170-EP2298776A1

3170-EP2298779A1

3170-EP2301923A1

3170-EP2305825A1

3170-EP2308510A1

3170-EP2308562A2

3170-EP2308839A1

3170-EP2311841A1

3170-EP2371811A2

MolPort-001-785-792

SR-01000944749-1

3704365A-1DAB-4AAA-A0D0-CAE7A96723AC

2,6,10,15,19,23-Hexamethyl-2,6,10,14,18,22-tetracosahexaene

2,6,10,15,19,23-Hexamethyltetracosa-2,6,10,14,18,22-hexaene

2,6,10,15,19,23-Hexamethyl-2,6,10,14,18,22-tetracosahexene

2,6,10,14,18,22-Tetracosahexaene, 2,6,10,15,19,23-hexamethyl-

2,6,10,14,18,22-Tetracosahexaene, 2,6,10,15,19,23-hexamethyl-,

(All-E)-2,6,10,15,19,23-hexamethyl-2,6,10,14,18,22-tetracosahexaene

(all-E)-2,6,10,15,19,23-Hexamethyl-2,6,10,14,18,22-tetraco-sahexaene

(6E,10E,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene

2,6,10,14,18,22-Tetracosahexaene, 2,6,10,15,19,23-hexamethyl-, (2E,6E,10E,14E,18E)-

2,6,10,14,18,22-tetracosahexaene, 2,6,10,15,19,23-hexamethyl-, (6E,10E,14E,18E)-

2,6,10,14,18,22-Tetracosahexaene, 2,6,10,15,19,23-hexamethyl-, (all-E)-

2,6,10,14,18,22-Tetracosahexaene,2,6,10,15,19,23-hexamethyl-, (2E,6E,10E,14E,18E)-

2,6,10,15,19,23-Hexamethyl-2,6,10,14,18,22-tetracosahexaene, (all-E)-

2,6,10,15,19,23-Hexamethyltetracosa-(2E,6E,10E,14E,18E,22E)-2,6,10,14,18,22-hexaene

InChI=1/C30H50/c1-25(2)15-11-19-29(7)23-13-21-27(5)17-9-10-18-28(6)22-14-24-30(8)20-12-16-26(3)4/h15-18,23-24H,9-14,19-22H2,1-8H3/b27-17+,28-18+,29-23+,30-24

The Henry's Law constant for squalene is estimated as 2.0 atm-cu m/mole(SRC) using a fragment constant estimation method(1). This Henry's Law constant indicates that squalene is expected to volatilize rapidly (from water surfaces(2). Based on this Henry's Law constant, the volatilization half-life from a model river (1 m deep, flowing 1 m/sec, wind velocity of 3 m/sec)(2) is estimated as 6 hours(SRC). The volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec)(2) is estimated as 8 days(SRC). However, volatilization from water surfaces is expected to be attenuated by adsorption to suspended solids and sediment in the water column. The estimated volatilization half-life from a model pond is >5 years if adsorption is considered(3). Squalene's estimated Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). However, volatilization from moist soil is expected to be attenuated by adsorption(SRC). Squalene is not expected to volatilize from dry soil surfaces(SRC) based upon an estimated vapor pressure of 6.3X10-6 mm Hg(SRC), determined from a fragment constant method(1).
Literature: (1) US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.11. Nov, 2012. Available from, as of June 22, 2015: http://www.epa.gov/oppt/exposure/pubs/episuitedl.htm (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990) (3) US EPA; EXAMS II Computer Simulation (1987)

Using a structure estimation method based on molecular connectivity indices(1), the Koc of squalene can be estimated to be 1X10+8(SRC). According to a classification scheme(2), this estimated Koc value suggests that squalene is expected to be immobile mobility in soil.
Literature: (1) US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.11. Nov, 2012. Available from, as of June 22, 2015: http://www.epa.gov/oppt/exposure/pubs/episuitedl.htm (2) Swann RL et al; Res Rev 85: 17-28 (1983)